SwePub - search: L773:0370 1972 OR L773:1521 39...

Enumeration	Reference	Cover	Find
1.	Ragnarsson, Ingemar, et al. (author) Fission barriers and the inclusion of axial asummetry 1972 In: Physics Letters. Section B: Nuclear, Elementary Particle and High-Energy Physics. - 0370-2693. ; 38 B:5, s. 269-273 Journal article (peer-reviewed)
2.	Aad, G., et al. (author) Combination of searches for invisible decays of the Higgs boson using 139 fb−1 of proton-proton collision data at √s=13 TeV collected with the ATLAS experiment 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 842 Journal article (peer-reviewed)abstract Many extensions of the Standard Model predict the production of dark matter particles at the LHC. Sufficiently light dark matter particles may be produced in decays of the Higgs boson that would appear invisible to the detector. This Letter presents a statistical combination of searches for H→invisible decays where multiple production modes of the Standard Model Higgs boson are considered. These searches are performed with the ATLAS detector using 139 fb−1 of proton–proton collisions at a centre–of–mass energy of at the LHC. In combination with the results at √s=7TeV and 8TeV, an upper limit on the H→invisible branching ratio of 0.107 (0.077) at the 95% confidence level is observed (expected). These results are also interpreted in the context of models where the 125 GeV Higgs boson acts as a portal to dark matter, and limits are set on the scattering cross-section of weakly interacting massive particles and nucleons.
3.	Aad, G., et al. (author) Constraints on the Higgs boson self-coupling from single- and double-Higgs production with the ATLAS detector using pp collisions at √s=13 TeV 2023 In: Physics Letters B. - : Elsevier B.V.. - 0370-2693 .- 1873-2445. ; 843 Journal article (peer-reviewed)abstract Constraints on the Higgs boson self-coupling are set by combining double-Higgs boson analyses in the b¯bb¯b, b¯bτ +τ − and b¯bγγ decay channels with single-Higgs boson analyses targeting the γγ , Z Z∗, W W ∗, τ +τ − and b¯b decay channels. The data used in these analyses were recorded by the ATLAS detector at the LHC in proton–proton collisions at √s = 13 TeV and correspond to an integrated luminosity of 126–139 fb−1. The combination of the double-Higgs analyses sets an upper limit of μH H < 2.4 at 95% confidence level on the double-Higgs production cross-section normalised to its Standard Model prediction. Combining the single-Higgs and double-Higgs analyses, with the assumption that new physics affects only the Higgs boson self-coupling (λHHH ), values outside the interval −0.4 < κλ = (λHHH /λ ) < 6.3 are excluded at 95% confidence level. The combined single-Higgs and double-Higgs analyses provide results with fewer assumptions, by adding in the fit more coupling modifiers introduced to account for the Higgs boson interactions with the other Standard Model particles. In this relaxed scenario, the constraint becomes −1.4 < κλ < 6.1 at 95% CL
4.	Aad, G., et al. (author) Measurement of the polarisation of W bosons produced in top-quark decays using dilepton events at √s=13 TeV with the ATLAS experiment 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 843 Journal article (peer-reviewed)abstract measurement of the polarisation of W bosons produced in top-quark decays is presented, using proton–proton collision data at a centre-of-mass energy of √s=13 TeV. The data were collected by the ATLAS detector at the Large Hadron Collider and correspond to an integrated luminosity of 139 fb−1. The measurement is performed selecting events decaying into final states with two charged leptons (electrons or muons) and at least two b-tagged jets. The polarisation is extracted from the differential cross-section distribution of the cos⁡θ* variable, where θ* is the angle between the momentum direction of the charged lepton from the W boson decay and the reversed momentum direction of the b-quark from the top-quark decay, both calculated in the W boson rest frame. Parton-level results, corrected for the detector acceptance and resolution, are presented for the cos⁡θ* angle. The measured fractions of longitudinal, left- and right-handed polarisation states are found to be f0=0.684±0.005(stat.)±0.014(syst.), fL=0.318±0.003(stat.)±0.008(syst.) and fR=−0.002±0.002(stat.)±0.014(syst.), in agreement with the Standard Model prediction.
5.	Aad, G., et al. (author) Measurement of the t¯t¯ cross section and its ratio to the Z production cross section using pp collisions at √s=13.6 TeV with the ATLAS detector 2024 In: Physics Letters B. - : Elsevier. - 0370-2693 .- 1873-2445. ; 848 Journal article (peer-reviewed)abstract The inclusive top-quark-pair production cross section ???̄ and its ratio to the ?-boson production cross section have been measured in proton–proton collisions at √? = 13.6 TeV, using 29 fb−1 of data collected in 2022 with the ATLAS experiment at the Large Hadron Collider. Using events with an opposite-charge electron-muon pair and ?-tagged jets, and assuming Standard Model decays, the top-quark-pair production cross section is measured to be ???̄ = 850± 3(stat.) ± 18(syst.) ± 20(lumi.) pb. The ratio of the ??̄ and the ?-boson production cross sections is also measured, where the ?-boson contribution is determined for inclusive ?+?− and ?+?− events in a fiducial phase space. The relative uncertainty on the ratio is reduced compared to the ??̄ cross section, thanks to the cancellation of several systematic uncertainties. The result for the ratio, ???̄∕? = 1.145 ± 0.003(stat.) ± 0.021(syst.)±0.002(lumi.) is consistent with the Standard Model prediction using the PDF4LHC21 PDF set.
6.	Aad, G., et al. (author) Search for exclusive Higgs and Z boson decays to ωγ and Higgs boson decays to K⁎γ with the ATLAS detector 2023 In: Physics Letters B. - : Elsevier. - 0370-2693 .- 1873-2445. ; 847 Journal article (peer-reviewed)abstract Searches for the exclusive decays of the Higgs boson to an ? meson and a photon or a ?* meson and a photon can probe flavour-conserving and flavour-violating Higgs boson couplings to light quarks, respectively. Searches for these decays, along with the analogous ? boson decay to an ? meson and a photon, are performed with a ?? collision data sample corresponding to integrated luminosities of up to 134 fb−1 collected at √? = 13 TeV with the ATLAS detector at the CERN Large Hadron Collider. The obtained 95% confidence-level upper limits on the respective branching fractions are (? → ??) < 5.5 × 10−4, (? → ?*?) < 2.2 × 10−4 and (? → ??) < 3.9 × 10−6. The limits for ? → ?? and ? → ?? are 370 times and 140 times the Standard Model expected values, respectively. The result for ? → ?? corresponds to a two-orders-of-magnitude improvement over the limit obtained by the DELPHI experiment at LEP.
7.	Aad, G., et al. (author) Search for flavour-changing neutral-current couplings between the top quark and the photon with the ATLAS detector at √s=13 TeV 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 842 Journal article (peer-reviewed)abstract This letter documents a search for flavour-changing neutral currents (FCNCs), which are strongly suppressed in the Standard Model, in events with a photon and a top quark with the ATLAS detector. The analysis uses data collected in pp collisions at √s = 13 TeV during Run 2 of the LHC, corresponding to an integrated luminosity of 139 fb−1. Both FCNC top-quark production and decay are considered. The final state consists of a charged lepton, missing transverse momentum, a b-tagged jet, one high-momentum photon and possibly additional jets. A multiclass deep neural network is used to classify events either as signal in one of the two categories, FCNC production or decay, or as background. No significant excess of events over the background prediction is observed and 95% CL upper limits are placed on the strength of left- and right-handed FCNC interactions. The 95% CL bounds on the branching fractions for the FCNC top-quark decays, estimated (expected) from both top-quark production and decay, are B(t → uγ ) < 0.85 (0.88) × 10−5 and B(t → cγ ) < 4.2 (3.40) × 10−5 for a left-handed tqγ coupling, and B(t → uγ ) < 1.2 (1.20)×10−5 and B(t → cγ ) < 4.5 (3.70)×10−5 for a right-handed coupling.
8.	Aad, G., et al. (author) Search for heavy long-lived multi-charged particles in the full LHC Run 2 pp collision data at √s=13 TeV using the ATLAS detector 2023 In: Physics Letters B. - : Elsevier. - 0370-2693 .- 1873-2445. ; 847 Journal article (peer-reviewed)abstract A search for heavy long-lived multi-charged particles is performed using the ATLAS detector at the LHC. Data collected in 2015-2018 at √s = 13 TeV from pp collisions corresponding to an integrated luminosity of 139 fb−1 are examined. Particles producing anomalously high ionization, consistent with long-lived spin-½ massive particles with electric charges from \|q\| = 2e to \|q\| = 7e are searched for. No statistically significant evidence of such particles is observed, and 95% confidence level cross-section upper limits are calculated and interpreted as the lower mass limits for a Drell-Yan plus photon-fusion production mode. The least stringent limit, 1060 GeV, is obtained for \|q\| = 2e particles, and the most stringent one, 1600 GeV, is for \|q\| = 6e particles.
9.	Aad, G., et al. (author) Search for pair-production of vector-like quarks in pp collision events at √s = 13 TeV with at least one leptonically decaying Z boson and a third-generation quark with the ATLAS detector 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 843 Journal article (peer-reviewed)abstract A search for the pair-production of vector-like quarks optimized for decays into a Z boson and a third-generation Standard Model quark is presented, using the full Run 2 dataset corresponding to 139 fb−1 of pp collisions at √s = 13 TeV, collected in 2015–2018 with the ATLAS detector at the Large Hadron Collider. The targeted final state is characterized by the presence of a Z boson with high transverse momentum, reconstructed from a pair of same-flavour leptons with opposite-sign charges, as well as by the presence of b-tagged jets and high-transverse-momentum large-radius jets reconstructed from calibrated smaller-radius jets. Events with exactly two or at least three leptons are used, which are further categorized by the presence of boosted W , Z, and Higgs bosons and top quarks. The categorization is performed using a neural-network-based boosted object tagger to enhance the sensitivity to signal relative to the background. No significant excess above the background expectation is observed and exclusion limits at 95% confidence level are set on the masses of the vector-like partners T and B of the top and bottom quarks, respectively. The limits depend on the branching ratio configurations and, in the case of 100% branching ratio for T → Zt and 100% branching ratio for B → Zb, this search sets the most stringent limits to date, allowing mT > 1.60 TeV and mB > 1.42 TeV, respectively.
10.	Aad, G., et al. (author) Search for pairs of muons with small displacements in pp collisions at √s=13 TeV with the ATLAS detector 2023 In: Physics Letters B. - : ELSEVIER. - 0370-2693 .- 1873-2445. ; 846 Journal article (peer-reviewed)abstract A search for new phenomena giving rise to pairs of opposite electrically charged muons with impact parameters in the millimeter range is presented, using 139 fb−1 of √s=13 TeV pp collision data from the ATLAS detector at the LHC. The search targets the gap in coverage between existing searches targeting final states with leptons with large displacement and prompt leptons. No significant excess over the background expectation is observed and exclusion limits are set on the mass of long-lived scalar supersymmetric muon-partners (smuons) with much lower lifetimes than previously targeted by displaced muon searches. Smuon lifetimes down to 1 ps are excluded for a smuon mass of 100 GeV, and smuon masses up to 520 GeV are excluded for a proper lifetime of 10 ps, at 95% confidence level. Finally, model-independent limits are set on the contribution from new phenomena to the signal-region yields.
11.	Aad, G., et al. (author) Search for the Zγ decay mode of new high-mass resonances in pp collisions at √?=13 TeV with the ATLAS detector 2024 In: Physics Letters B. - 0370-2693 .- 1873-2445. ; 848 Journal article (peer-reviewed)abstract This letter presents a search for narrow, high-mass resonances in the Zγ final state with the Z boson decaying into a pair of electrons or muons. The √?=13 TeV pp collision data were recorded by the ATLAS detector at the CERN Large Hadron Collider and have an integrated luminosity of 140 fb−1. The data are found to be in agreement with the Standard Model background expectation. Upper limits are set on the resonance production cross section times the decay branching ratio into Zγ. For spin-0 resonances produced via gluon–gluon fusion, the observed limits at 95% confidence level vary between 65.5 fb and 0.6 fb, while for spin-2 resonances produced via gluon–gluon fusion (or quark–antiquark initial states) limits vary between 77.4 (76.1) fb and 0.6 (0.5) fb, for the mass range from 220 GeV to 3400 GeV.
12.	Andrean, Stefio Y., 1991-, et al. (author) Comparison of inclusive and photon-tagged jet suppression in 5.02 TeV Pb+Pb collisions with ATLAS 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 846 Journal article (peer-reviewed)abstract Parton energy loss in the quark-gluon plasma (QGP) is studied with a measurement of photon-tagged jet production in 1.7 nb-1 of Pb+Pb data and 260 pb-1 of pp data, both at root sNN = 5.02 TeV, with the ATLAS detector. The process pp -> gamma +jet+X and its analogue in Pb+Pb collisions is measured in events containing an isolated photon with transverse momentum (pT) above 50 GeV and reported as a function of jet pT. This selection results in a sample of jets with a steeply falling pT distribution that are mostly initiated by the showering of quarks. The pp and Pb+Pb measurements are used to report the nuclear modification factor, RAA, and the fractional energy loss, Sloss, for photon-tagged jets. In addition, the results are compared with the analogous ones for inclusive jets, which have a significantly smaller quark-initiated fraction. The RAA and Sloss values are found to be significantly different between those for photon-tagged jets and inclusive jets, demonstrating that energy loss in the QGP is sensitive to the colour-charge of the initiating parton. The results are also compared with a variety of theoretical models of colour-charge-dependent energy loss. (c) 2023 The Author(s). Published by Elsevier B.V. This is an open access article under the CC BY license (http://creativecommons .org /licenses /by /4 .0/). Funded by SCOAP3.
13.	Andrean, Stefio Y., 1991-, et al. (author) Evidence of off-shell Higgs boson production from ZZ leptonic decay channels and constraints on its total width with the ATLAS detector 2023 In: Physics Letters B. - 0370-2693 .- 1873-2445. ; 846 Journal article (peer-reviewed)abstract This Letter reports on a search for off-shell production of the Higgs boson using 139 fb−1fb−1 of pp collision data at √8 = 13 TeV collected by the ATLAS detector at the Large Hadron Collider. The signature is a pair of Z bosons, with contributions from both the production and subsequent decay of a virtual Higgs boson and the interference of that process with other processes. The two observable final states are ZZ→4ℓ and ZZ→2ℓ2ν with ℓ=e or μ. In the ZZ→4ℓ final state, a dense Neural Network is used to enhance analysis sensitivity with respect to matrix element-based discrimination. The background-only hypothesis is rejected with an observed (expected) significance of 3.3 (2.2) standard deviations, representing experimental evidence for off-shell Higgs boson production. Assuming that no new particles enter the production of the virtual Higgs boson, its total width can be deduced from the measurement of its off-shell production cross-section. The measured total width of the Higgs boson is 4.5+3.3−2.5 MeV, and the observed (expected) upper limit on the total width is found to be 10.5 (10.9) MeV at 95% confidence level.
14.	Andrean, Stefio Y., 1991-, et al. (author) Probing the CP nature of the top–Higgs Yukawa coupling in tt¯H??¯? and tH events with H→bb¯?→??¯ decays using the ATLAS detector at the LHC 2024 In: Physics Letters B. - : Elsevier B.V.. - 0370-2693 .- 1873-2445. ; 849 Journal article (peer-reviewed)abstract The CP properties of the coupling between the Higgs boson and the top quark are investigated using 139 fb−1 of proton–proton collision data recorded by the ATLAS experiment at the LHC at a centre-of-mass energy of s√=13?=13 TeV. The CP structure of the top quark–Higgs boson Yukawa coupling is probed in events with a Higgs boson decaying into a pair of b-quarks and produced in association with either a pair of top quarks, tt¯H??¯?, or a single top quark, tH. Events containing one or two electrons or muons are used for the measurement. Multivariate techniques are used to select regions enriched in tt¯H??¯? and tH events, where dedicated CP-sensitive observables are exploited. In an extension of the Standard Model (SM) with a CP-odd admixture in the top–Higgs Yukawa coupling, the mixing angle between CP-even and CP-odd couplings is measured to be α=11∘+52∘−73∘?=11−73∘∘+52∘, compatible with the SM prediction corresponding to α=0?=0.
15.	Mullier, G.A., et al. (author) Observation of gauge boson joint-polarisation states in W± Z production from pp collisions at √s=13TeV with the ATLAS detector 2023 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 843 Journal article (peer-reviewed)abstract Measurements of joint-polarisation states of W and Z gauge bosons in W±Z production are presented. The data set used corresponds to an integrated luminosity of 139 fb−1 of proton–proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. The W±Z candidate events are reconstructed using leptonic decay modes of the gauge bosons into electrons and muons. The simultaneous pair-production of longitudinally polarised vector bosons is measured for the first time with a significance of 7.1 standard deviations. The measured joint helicity fractions integrated over the fiducial region are f00=0.067±0.010, f0T=0.110±0.029, fT0=0.179±0.023 and fTT=0.644±0.032, in agreement with the next-to-leading-order Standard Model predictions. Individual helicity fractions of the W and Z bosons are also measured and found to be consistent with joint helicity fractions within the expected amounts of correlation. Both the joint and individual helicity fractions are also measured separately in W+Z and W−Z events. Inclusive and differential cross sections for several kinematic observables sensitive to polarisation are presented.
16.	Mullier, Geoffrey A., et al. (author) Observation of Wγγ triboson production in proton-proton collisions at √s=13 TeV with the ATLAS detector 2024 In: Physics Letters B. - : Elsevier. - 0370-2693 .- 1873-2445. ; 848 Journal article (peer-reviewed)abstract This letter reports the observation of ? (??)?? production in proton-proton collisions. This measurement uses the full Run 2 sample of events recorded at a center-of-mass energy of √s=13 TeV by the ATLAS detector at the LHC, corresponding to an integrated luminosity of 140 fb−1. Events with a leptonically-decaying W boson and at least two photons are considered. The background-only hypothesis is rejected with an observed and expected significance of 5.6 standard deviations. The inclusive fiducial production cross section of f ? (??)?? and ? (??)?? events is measured to be σfid= fb, in agreement with the Standard Model prediction.
17.	Mullier, Geoffrey A., et al. (author) Search for non-resonant production of semi-visible jets using Run 2 data in ATLAS 2024 In: Physics Letters B. - : Elsevier BV. - 0370-2693 .- 1873-2445. ; 848 Journal article (peer-reviewed)abstract Semi-visible jets, with a significant contribution to the event's missing transverse momentum, can arise in strongly interacting dark sectors. This results in an event topology where one of the jets can be aligned with the direction of the missing transverse momentum. The first search for semi-visible jets produced via a t-channel mediator exchange is presented. The analysis uses proton-proton collisions with an integrated luminosity of 139 fb−1 and a centre-of-mass energy of 13 TeV, collected with the ATLAS detector during the Run 2 of the LHC. No excess over Standard Model predictions is observed. Assuming a coupling strength of unity between the mediator, a Standard Model quark and a dark quark, mediator masses up to 2.7 TeV are excluded at the 95% confidence level. Upper limits on the coupling strength are also derived.
18.	Mullier, Geoffrey A., et al. (author) Search for the decay of the Higgs boson to a Z boson and a light pseudoscalar particle decaying to two photons 2024 In: Physics Letters B. - : Elsevier B.V.. - 0370-2693 .- 1873-2445. ; 850 Journal article (peer-reviewed)abstract A search for the decay of the Higgs boson to a Z boson and a light, pseudoscalar particle, a, decaying respectively to two leptons and to two photons is reported. The search uses the full LHC Run 2 proton–proton collision data at √?=13 TeV, corresponding to 139 fb−1 collected by the ATLAS detector. This is one of the first searches for this specific decay mode of the Higgs boson, and it probes unexplored parameter space in models with axion-like particles (ALPs) and extended scalar sectors. The mass of the a particle is assumed to be in the range 0.1–33 GeV. The data are analysed in two categories: a merged category where the photons from the a decay are reconstructed in the ATLAS calorimeter as a single cluster, and a resolved category in which two separate photons are detected. The main background processes are from Standard Model Z boson production in association with photons or jets. The data are in agreement with the background predictions, and upper limits on the branching ratio of the Higgs boson decay to Za times the branching ratio ?→?? are derived at the 95% confidence level and they range from 0.08% to 2% depending on the mass of the a particle. The results are also interpreted in the context of ALP models.
19.	Petersson, Christoffer, 1979, et al. (author) BARYONIC CORRECTIONS TO SUPERPOTENTIALS FROM PERTURBATION THEORY 2003 In: Physics Letters, Section B: Nuclear, Elementary Particle and High-Energy Physics. - 0370-2693. ; 553:3-4, s. 332-336 Journal article (peer-reviewed)abstract We study the corrections induced by a baryon vertex to the superpotential of SQCD with gauge group SU(N) and N quark flavors. We first compute the corrections order by order using a standard field theory technique and derive the corresponding glueball superpotential by "integrating in" the glueball field. The structure of the corrections matches with the expectations from the recently introduced perturbative techniques. We then compute the first non-trivial contribution using this new technique and find exact quantitative agreement. This involves cancellations between diagrams that go beyond the planar approximation.
20.	Jones, R., et al. (author) Intrinsic defects and the D1 to D4 optical bands detected in plastically deformed Si 2000 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 222:1, s. 133-140 Journal article (peer-reviewed)abstract The properties of multi-vacancy and multi-interstitial defects that possess luminescent bands around 1 eV are reviewed. Prominent among these are the hexavacancy and tri- and tetra-self-interstitial defects. It is suggested that the formation of these defects on dislocation cores could lead to the D1 to D4 photoluminescent bands linked to dislocations in Si and SiGe.
21.	Kordina, Olle, et al. (author) Growth of SiC by "Hot-Wall" CVD and HTCVD 1997 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 202:1, s. 321-334 Journal article (peer-reviewed)abstract A reactor concept for the growth of high-quality epitaxial SiC films has been investigated. The reactor concept is based on a hot-wall type susceptor which, due to the unique design, is very power efficient. Four different susceptors are discussed in terms of quality and uniformity of the grown material. The films are grown using the silane–propane–hydrogen system on off-axis (0001) 6H- and 4H-SiC substrates. Layers with doping levels in the low 1014 cm—3 showing strong free exciton emission in the photoluminescence spectra may readily be grown reproducibly in this system. The quality of the grown layers is also confirmed by the room temperature minority carrier lifetimes in the microsecond range and the optically detected cyclotron resonance data which give mobilities in excess of 100000 cm2/Vs at 6 K. Finally, a brief description will be given of the HTCVD technique which shows promising results in terms of high quality material grown at high growth rates.
22.	Monemar, Bo, 1942-, et al. (author) The 3.466 eV Bound Exciton in GaN 2001 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 228:2, s. 489-492 Journal article (peer-reviewed)abstract We discuss the available optical data for the 3.466 eV bound exciton in GaN, which has been a controversial issue in the recent literature. We conclude that the experimental results are only consistent with the identification as an exciton bound at a neutral acceptor with a spin-like bound hole. The chemical identity is still not clear.
23.	Paskov, Plamen, 1959-, et al. (author) Anisotropy of the in-plane strain in GaN grown on A-plane sapphire 2002 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 234:3, s. 892-896 Journal article (peer-reviewed)abstract A comparative study of GaN layer grown by hydride vapour phase epitaxy on A-plane sapphire before and after removal of the substrate is presented. A large anisotropy of the in-plane strain in the as-grown sample is revealed by X-ray diffraction measurements and polarized photoluminescence. The strain anisotropy is found to modify the selection rules for the transitions leading to a splitting of the optically active states of the A and B excitons. Almost complete strain relaxation and recovery of the optical isotropy in the (0001) plane is observed in the free-standing layer.
24.	Paskov, Plamen, 1959-, et al. (author) Internal structure of free excitons in GaN 2001 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 228:2, s. 467-470 Journal article (peer-reviewed)abstract Polarized photoluminescence is used to study the fine structure of free excitons in thick GaN layers grown on differently oriented sapphire substrates. The singlet-triplet splitting of the A exciton is measured and the exchange interaction constant in GaN is determined. For the samples grown on the a-plane sapphire, splitting of the A and B excitons induced by the uniaxial in-plane stress is also observed.
25.	Paskov, Plamen, 1959-, et al. (author) Phonon-assisted photoluminescence in InGaN/GaN multiple quantum wells 2002 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 234:3, s. 755-758 Journal article (peer-reviewed)abstract The LO-phonon sidebands of the photoluminescence in InGaN/GaN multiple quantum wells has been investigated in the temperature range from 20 to 300 K. Analysing the intensity distribution among the phonon replicas, the strength of the exciton-phonon interaction has been estimated. The Huang-Rhys factor was found to be ÿ0.3, much larger than in GaN. The enhancement has been attributed to the exciton localization on a length scale smaller than the exciton Bohr radius and to the large internal electric field, which increases the spatial separation of the electron and hole charge densities along the growth axis.
26.	Aberg, D, et al. (author) Ultra-shallow thermal donor formation in oxygen-containing ambient 1998 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 210, s. 527-532 Journal article (peer-reviewed)abstract Czochralski-grown phosphorus-doped (approximate to 2 x 10(14) cm(-3)) silicon wafers have been annealed in nitrogen, wet nitrogen, argon, oxygen, and vacuum ambients at 470 degrees C for times up to 500 h. Sample characterization was made with capacitance-voltage, four-point probe, DLTS, thermally stimulated capacitance, admittance spectroscopy, secondary ion-mass spectrometry, and Fourier transform infrared spectroscopy. This study finds a strong relation between the previously reported ultra-shallow thermal donors (USTDs) and shallow thermal donors (STDs), and it is shown that the net concentration of thermally formed donors is independent on annealing ambient within the experimental accuracy. It was found that the majority of formed donors for long anneals consisted of either STDs or USTDs, however, it was found that oxygen-containing ambient is indispensable for forming USTDs.
27.	Achtziger, N, et al. (author) Mobility passivating effect and thermal stability of hydrogen in silicon carbide 1998 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 210, s. 395-399 Journal article (peer-reviewed)abstract The diffusion and passivating effect of hydrogen (isotope H-2) in epitaxial p-type SiC is studied by secondary ion mass spectrometry and capacitance-voltage profiling on Schottky diodes. The incorporation of hydrogen is achieved by low-energy ion implantation. The influence of implantation energy, temperature and subsequent annealing is presented. Annealing experiments with an electric field applied reveal a reactivation of passivated accepters and a H+ ion drift at a surprisingly low temperature of 530 K.
28.	Arvanitidis, J., et al. (author) Comparative Raman study of the 1D and 2D polymeric phases of C60 under pressure 1999 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 215:1, s. 443-448 Journal article (peer-reviewed)
29.	Arvanitidis, J., et al. (author) Comparative Raman Study of the 1D and 2D Polymeric Phases of C60 under Pressure 1999 In: Physica status solidi. B, Basic research. - : John Wiley & Sons. - 0370-1972 .- 1521-3951. ; 215:1, s. 443-448 Journal article (peer-reviewed)abstract The effect of symmetry lowering on the phonon spectra as well as the pressure effects on the vibrational spectrum of polymerized C60 were studied by Raman spectroscopy. Drastic changes related to the splitting of degenerate modes of the C60 molecule were observed together with selected softening of some of them. In spite of many similarities in the Raman spectra of the one (1D) and two-dimensional (2D) polymeric forms of C60, some salient differences in the peak intensities and the appearance of complementary modes are evident. In the Raman spectrum of the 2D polymer under high pressure, new modes, which may be related to the deformations of molecular cages, appear. The observed pressure effects are reversible and the material remains stable for pressures up to 8.8 GPa.
30.	Buyanova, Irina, 1960-, et al. (author) Mechanism for Light Emission in GaNAs/GaAs Structures Grown by Molecular Beam Epitaxy 1999 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 216:1, s. 125-129 Journal article (peer-reviewed)abstract A detailed photoluminescence (PL) study reveals that the low-temperature PL emission in GaNAs epilayers and GaAs/GaNxAs1 - x quantum well structures grown by molecular beam epitaxy is governed by recombination of localized excitons. This conclusion is based on the analysis of the PL lineshape, its dependence on the excitation power and measurement temperature, as well as PL transient data. The depth of the localization potential is estimated as about 60 meV, varying slightly among the different structures.
31.	Dixon, P., et al. (author) Nitrogen-Hydrogen Defects in GaP 1998 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 210:2, s. 321-326 Journal article (peer-reviewed)abstract Models of the nitrogen-hydrogen defect in GaP, which contain one and two H atoms, are investigated using ab initio density functional cluster theory. We find that a single H atom binding to N possesses two infrared absorption frequencies close to those attributed to an NH2 defect. The modes shift with its charge state consistent with the photo-sensitivity found for the defect. A third mode observed for this centre is assumed to be an overtone of the bend mode. The isotope shifts of the calculated modes are in excellent agreement with experiment in contrast with the model which contains two H atoms.
32.	Kollar, J., et al. (author) Metal surfaces : Surface, step and kink formation energies 2000 In: Physica status solidi. B, Basic research. - : WILEY-V C H VERLAG GMBH. - 0370-1972 .- 1521-3951. ; 217:1, s. 405-418 Journal article (peer-reviewed)abstract We review the surface, step, and kink energies in monoatomic metallic systems. A systematic comparison is given between the theoretical results based on density functional theory and available experimental data. Our calculated values are used to predict the equilibrium shapes of small metal particles, monoatomic surface islands, and the instability of different surface geometries.
33.	Latham, Chris D., et al. (author) Di-carbon complexes in AlAs and GaAs 1998 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 210:2, s. 869-872 Journal article (peer-reviewed)abstract Heat treatment of heavily carbon doped AlAs and GaAs results in a loss of CAS shallow acceptors. In Raman scattering experiments on annealed CBE grown GaAs with 12C and 13C isotopes, and MOVPE grown AlAs it is found that the loss of carriers is accompanied by the appearance of two high frequency lines. These lie near to the stretch mode of an isolated C2 molecule (1855 cm-1). This is consistent with the formation of two types of di-carbon defects in these materials where the C atoms are bonded together and one or both of which act as a donor. Using a local density functional method to investigate the structure and dynamics of several di-carbon defects, we find that the dimer at an As site is bistable and aligned approximately in a [100] direction in the neutral charge state, and in a [110] direction when positively ionised. The calculated frequencies lie within 10% of the measured values in both materials. Other defects are investigated too with a view of determining the structures giving rise to the modes.
34.	Adolph, David, 1971, et al. (author) Impact of O2 flow rate on the growth rate of ZnO(0001) and ZnO(000-1) on GaN by plasma-assisted molecular beam epitaxy 2016 In: Physica Status Solidi (B): Basic Research. - : Wiley. - 1521-3951 .- 0370-1972. ; 253:8, s. 1523-1528 Journal article (peer-reviewed)abstract We studied the effects of a varying O$ flow rate on the growth of ZnO(0001) and ZnO(000-1) layers on GaN/Al2O3-templates by plasma-assisted molecular beam epitaxy. The O2 flow rate through the O-plasma source was varied between 0.25--4.5 standard cubic centimeters per minute corresponding to a growth chamber pressure between 3.0 x 10^-6 -- 5.0x10^-5 Torr. We found that the change of the O2 flow rate had a profound effect on the ZnO layer growth rate. A maximum growth rate was reached for an O2 flow rate of 1.0--2.0 standard cubic centimeters per minute. The same growth rate dependence on the O2 flow rate was observed for ZnO(0001) layers that were grown on GaN/4H-SiC buffer layers for verification. To assess the amount of active O contributing to the ZnO-growth, the spectral composition of the plasma was investigated with optical emission spectroscopy. The integrated optical emission line intensity reached a maximum for an O2 flow rate between 1.0--2.0 standard cubic centimeters per minute. Essentially all emission lines exhibited a maximum intensity for an O2 flow rate between 1.0--2.0 standard cubic centimeters per minute thus coinciding with the flow rate yielding the maximum growth rate.
35.	Alcer, David, et al. (author) Comparison of Triethylgallium and Trimethylgallium Precursors for GaInP Nanowire Growth 2021 In: Physica Status Solidi (B) Basic Research. - : Wiley. - 0370-1972. ; 258:2 Journal article (peer-reviewed)abstract Nanowire (NW) arrays containing a top segment of GaxIn1–xP are investigated, comparing NWs grown using two different Ga precursors, trimethylgallium (TMGa) and triethylgallium (TEGa). TMGa is the precursor commonly used for the particle-assisted vapor–liquid–solid (VLS) growth of GaxIn1–xP NWs. However, it shows inefficient pyrolysis at typical NW growth conditions. The use of the alternative precursor TEGa is investigated by making a direct comparison between NWs grown using TEGa and TMGa at otherwise identical growth conditions. Growth rates, resulting NW materials composition, and time-resolved photoluminescence (TRPL) lifetimes are investigated. With increasing Ga content of the NWs, the TRPL lifetimes decrease, indicating trap states that are associated with GaP. Somewhat longer TRPL lifetimes for the samples grown using TEGa indicate a lower concentration of deep trap states. For doped NWs, it is found that the strong effect of the p-type dopant diethylzinc (DEZn) on the NW composition, observed for GaxIn1–xP NWs grown using TMGa, is absent when using TEGa.
36.	Allali, Naoual, et al. (author) Covalent functionalization of few-wall carbon nanotubes by ferrocene derivatives for bioelectrochemical devices 2012 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 249:12, s. 2349-2352 Journal article (peer-reviewed)abstract The present work reports the covalent functionalization of few-wall CNTs (FWCNTs) by ferrocene derivatives to (i) improve their dispersion efficiency in water and (ii) graft electroactive chemical groups on their side-walls in order to promote electron transfer to biomolecules. The functionalized CNTs (f-CNTs) are used to modify a glassy carbon electrode and this modified electrode is used for oxidizing the cofactor NADH (dihydronicotinamide adenine dinucleotide).
37.	Andres, Britta, et al. (author) Enhanced electrical and mechanical properties of nanographite electrodes for supercapacitors by addition of nanofibrillated cellulose 2014 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 251:12, s. 2581-2586 Journal article (peer-reviewed)abstract Graphene and porous carbon materials are widely used as electrodes in supercapacitors. In order to form mechanically stable electrodes, binders can be added to the conducting electrode material. However, most bindersdegrade the electrical performance of the electrodes. Here we show that by using nanofibrillated cellulose(NFC) as binder the electrical properties, such as capacitance, were enhanced. The highest capacitance was measured at a NFC content of approximately 10% in ratio to the total amount of active material. NFC is a good ionconductor and improves the access of ions in the electrodes. Thus, electrodes made of a mixture of nanographite and NFC achieved larger capacitances in supercapacitors than electrodes with nanographite only. In addition to electrical properties, NFC enhanced the mechanical stability and wet strength of the electrodes significantly. Furthermore, NFC stabilized the aqueous nanographite dispersions, which improved the processability. Galvanostatic cycling was performed and an initial transient behaviour of the supercapacitors during the first cycles was observed. However, stabilized supercapacitors showed efficiencies of 98–100 %.
38.	Arnaudov, B, et al. (author) Hall effect data analysis of GaN n(+)n structures 2002 In: Physica status solidi. B, Basic research. - 0370-1972 .- 1521-3951. ; 234:3, s. 872-876 Journal article (peer-reviewed)abstract We develop a model for analysis of Hall effect data of GaN structures composed of sublayers with different thicknesses and contacts placed on the top surface, We analysed the contributions of the conductivity of every sublayer of a planar sample taking into account the fact that the sample sublayers are partially connected in parallel to each other by series resistances formed in areas lying below the contacts from the upper layer. Correction factors, which reduce the contribution of the underlying layers to the measured whole sample conductivity, are obtained from the equations relevant to the respective equivalent circuit.
39.	Bahrami, Danial, et al. (author) Impact of Electrical Current on Single GaAs Nanowire Structure 2021 In: Physica Status Solidi (B) Basic Research. - : Wiley. - 0370-1972. ; 258:8 Journal article (peer-reviewed)abstract The impact of electrical current on the structure of single free-standing Be-doped GaAs nanowires grown on a Si 111 substrate is investigated. Single nanowires have been structurally analyzed by X-ray nanodiffraction using synchrotron radiation before and after the application of an electrical current. The conductivity measurements on single nanowires in their as-grown geometry have been realized via W-probes installed inside a dual-beam focused ion beam/scanning electron microscopy chamber. Comparing reciprocal space maps of the 111 Bragg reflection, extracted perpendicular to the nanowire growth axis before and after the conductivity measurement, the structural impact of the electrical current is evidenced, including deformation of the hexagonal nanowire cross section, tilting, and bending with respect to the substrate normal. For electrical current densities below 30 A mm−2, the induced changes in the reciprocal space maps are negligible. However, for a current density of 347 A mm−2, the diffraction pattern is completely distorted. The mean cross section of the illuminated nanowire volume is reconstructed from the reciprocal space maps before and after the application of electrical current. Interestingly, the elongation of two pairs of opposing side facets accompanied by shrinkage of the third pair of facets is found. The variations in the nanowire diameter, as well as their tilt and bending, are confirmed by scanning electron microscopy. To explain these findings, material melting due to Joule heating during voltage/current application accompanied by anisotropic deformations induced by the W-probe is suggested.
40.	Barzegar, Hamid Reza, et al. (author) Synthesis of graphene nanoribbons inside boron nitride nanotubes 2016 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 253:12, s. 2377-2379 Journal article (peer-reviewed)abstract We report on bottom-up synthesis of graphene nanoribbons inside boron nitride nanotubes, using coronene molecules as building blocks. The synthesized ribbons are one or two coronene molecules wide, depending on the diameter of the host nanotube. The encapsulated carbon nanostructures can be eliminated from the inner cavity of the filled boron nitride nanotube via oxidation without any damage to the nanotube structure.
41.	Becker, Chandler A., et al. (author) Thermodynamic modelling of liquids : CALPHAD approaches and contributions from statistical physics 2014 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 251:1, s. 33-52 Journal article (peer-reviewed)abstract We describe current approaches to thermodynamic modelling of liquids for the CALPHAD method, the use of available experimental methods and results in this type of modelling, and considerations in the use of atomic-scale simulation methods to inform a CALPHAD approach. We begin with an overview of the formalism currently used in CALPHAD to describe the temperature dependence of the liquid Gibbs free energy and outline opportunities for improvement by reviewing the current physical understanding of the liquid. Brief descriptions of experimental methods for extracting high-temperature data on liquids and the preparation of undercooled liquid samples are presented. Properties of a well-determined substance, B-2 O-3, including the glass transition, are then discussed in detail to emphasize specific modelling requirements for the liquid. We then examine the two-state model proposed for CALPHAD in detail and compare results with experiment and theory, where available. We further examine the contributions of atomic-scale methods to the understanding of liquids and their potential for supplementing available data. We discuss molecular dynamics (MD) and Monte Carlo methods that employ atomic interactions from classical interatomic potentials, as well as contributions from ab initio MD. We conclude with a summary of our findings.
42.	Beenken, W J D, et al. (author) Excited state properties of neutral and charged ter-fluorene with and without a keto-defect 2008 In: Physica Status Solidi. B: Basic Research. - : Wiley. - 0370-1972. ; 245:5, s. 849-853 Journal article (peer-reviewed)abstract Stimulated by the recent experimental report of optical properties of charged oligofluorenes [S. Fratiloiu et al., J. Phys. Chem. B 210, 59845993 (2006)], we have used time-dependent density functional theory (TD-DFT) to study the electronic structure of neutral and charged ter-fluorene with and without keto-defect. We have characterized the excited states by site- and space-based representations of the density matrix. For the defectless neutral species we found typical excitons, while the first excited states of the corresponding charged species represent long-range oscillations of the electron or hole along the whole oligomer. For the neutral ketonized ter-fluorene we found trapping of the excited electron. Similarly, the unpaired electron of the anion ground' state is trapped. The excited state properties of the cation; however, are insensitive to the keto-defect.
43.	Benavides, Vicente, et al. (author) Raman and electron microscopy study of C60 collapse/transformation to a nanoclustered graphene-based disordered carbon phase at high pressure/temperature 2015 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 252:11, s. 2626-2629 Journal article (peer-reviewed)abstract Transformation of C60 polymers to a superelastic hard carbon (nanoclustered graphene phase (NGP)) occurring in metal matrix at 5 GPa in a temperature interval of 1000–1100 K was studied by optical, scanning electron microscopy (SEM), and Raman spectroscopy. Raman spectral scan across the sample surface allowed us to identify different stages of the structural transformation. The SEM and Raman spectroscopy data testify for the NGP appearance at the defects concentration sites in the parent fullerite structure. We propose that the buckyballs collapse/formation of the NGP is governed by nucleation and growth (diffusive) mechanism unlike earlier discussed in the literature possibility of the martensitic-type (displacive) character of this transformation.
44.	Bhandary, Sumanta, et al. (author) Quasiperiodic Van der Waals Heterostructures of Graphene and Hexagonal Boron Nitride 2022 In: Physica status solidi. B, Basic research. - : John Wiley & Sons. - 0370-1972 .- 1521-3951. ; 259:2 Journal article (peer-reviewed)abstract Advancement toward opening a bandgap at the Dirac point induced by symmetry breaking paved the way to realize 2D heterostructures with graphene and hexagonal boron nitride (h-BN). An alternate arrangement of graphene and h-BN layers in a 3D stacking can tune the bandgaps of these composites depending on the position of B and N atoms with respect to C atoms of graphene. Herein, a unique possibility of arranging graphene and h-BN atomic layers in a quasiperiodic Fibonacci sequence to study the possibilities of controlling the electronic properties of these heterostructures is explored. Density functional theory calculations combined with van der Waals corrections reveal that these quasiperiodic heterostructures are more stable than normal periodic stacking of monolayers of graphene and h-BN. Moreover, for certain arrangements of atomic layers, sizeable bandgaps can be obtained.
45.	Bidermane, Ieva, 1984-, et al. (author) Characterization of Gas Phase of Iron Phthalocyanine with X-ray Photoelectron and Absorption Spectroscopies 2015 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 252:6, s. 1259-1265 Journal article (peer-reviewed)abstract Despite the numerous studies dedicated to phthalocyanine molecules adsorbed on surfaces, in monolayer or thin film, very few works have been focused on the characterization of vapors of these molecules. In this article we present the C 1s, N 1s and Fe 2p photoemission results as well as N K-edge X-ray absorption data of iron phthalocyanine (FePc) in gas phase. Presented comparison of X-ray photoelectron spectroscopy and X-ray absorption spectroscopy spectra of FePc films show a great similarity with the gas phase results, confirming the molecular character of thick films. The Fe2p photoemission spectrum of the gas phase FePc, shown for the first time, can be considered as a fingerprint of the Fe(II) ionic state of the central metal of the iron phthalocyanine. The performed multiplet calculations for describing the Fe 2p XP spectrum indicate 3Eg (a1g2eg32g1) state as the most probable ground state for thick film of iron phthalocyanine.
46.	Bigdeli, Sedigheh, et al. (author) New description of metastable hcp phase for unaries Fe and Mn: Coupling between first-principles calculations and CALPHAD modeling 2016 In: Physica Status Solidi B. - : John Wiley & Sons. - 1521-3951 .- 0370-1972. ; :9, s. 1830-1836 Journal article (peer-reviewed)abstract The main focus in developing the third generation of CALPHADdatabases is to model thermodynamic properties of materialsby using models which are more physically based andvalid down to 0K. First-principles calculations are helpful tochoose and validate those models. Reliable calculation results,for example, at very low temperatures or on metastable systemsreveal physical facts which might be inaccessible by experiments.Following our earlierwork for modeling thermodynamicproperties of pure elements (i.e., Fe and Mn) in third-generationCALPHAD databases, the (hcp) phase was modeled as ametastable phase in the present work. Although hcp phase isjust observed in these two elements under ultra-high pressure, inthe binary Fe–Mn this phase is metastable at ambient temperaturesand pressures. Therefore, it should be properly modeled inunaries for later optimization of binary systems. Based on densityfunctional theory (DFT) calculations, the magnetic groundstate and the magnetic properties of -Fe, -Mn, and their binarysolution phase were calculated. It was found that -Fe is antiferromagnetic(type II) while -Mn has a paramagnetic groundstate. Accordingly, magnetic contributions to thermodynamicproperties were accurately modeled. Moreover, by means ofthe extrapolation of experimental data for the thermodynamicproperties of binary systems and high-pressure data for unaries,the metastable hcp phases at ambient pressure were modeledfor the third-generation CALPHAD database, consistently withother stable phases in the elements Fe and Mn.
47.	Bigdeli, Sedigheh, et al. (author) On the third-generation Calphad databases : An updated description of Mn 2015 In: Physica status solidi. B, Basic research. - : Wiley. - 0370-1972 .- 1521-3951. ; 252:10, s. 2199-2208 Journal article (peer-reviewed)abstract Aiming for better extrapolations and predictabilities of thermodynamic properties of materials, new thermodynamic models are implemented in the third-generation Calphad databases. In these models, each term contributing to the Gibbs energy has an explicit physical meaning. Furthermore, descriptions of thermodynamic properties of materials are valid from 0K up to high temperatures far above the melting point. As a starting point for the development of large self-consistent third-generation database, the new models in the present work are applied to the unary manganese system. Taking into account both the calculated first principles results and experimental data, thermodynamic model parameters are evaluated. Thermodynamic properties predicted using this description, agree very well with available data. The calculated properties vary smoothly in the whole temperature range, which is another important improvement compared to the second-generation databases.
48.	Bilal, Muhammad, et al. (author) Elucidating the Surface Properties of Sr3PbO Inverse-Perovskite Topological Insulator: A First-Principles Study 2024 In: Physica status solidi. B, Basic research. - : John Wiley & Sons. - 0370-1972 .- 1521-3951. ; 261:2 Journal article (peer-reviewed)
49.	Blom, Anders, et al. (author) Resonant states in doped quantum wells 2003 In: Physica Status Solidi. B: Basic Research. - : Wiley. - 0370-1972. ; 235:1, s. 85-88 Journal article (peer-reviewed)abstract Resonant states can have an important influence on the electronic transport, noise and optical properties of heterostructure devices. We have used a non-variational method to study the resonant states formed by shallow donors inside and outside of quantum wells. The method allows us the evaluation of the position and the width (lifetime) of the resonant states and also of matrix elements such as optical transition probabilities. When the width is compared to results from the approach of resolvent operators, a quantitative difference is found, which we attribute to the neglected intraband scattering in the latter method. We also show how the impurity states, localized and resonant, evolve as the donor is moved into the quantum well from an originally infinite distance.
50.	Borisov, Vladislav, et al. (author) Microscopic Modeling of Correlated Systems Under Pressure : Representative Examples 2019 In: physica status solidi (b). - : Wiley. - 0370-1972 .- 1521-3951. ; 256:9 Journal article (peer-reviewed)abstract The complex interplay between different order parameters in correlated systems can be finely tuned by mechanical pressure giving access to a variety of distinct phases and thereby providing new functionalities. This review addresses the challenges in the state-of-the-art theoretical simulations of pressure-induced phenomena on a few representative examples of correlated systems that are currently in the focus of on-going contemporary research. These include organic charge-transfer multiferroics, unconventional iron-based superconductors, frustrated quantum magnets, and candidate systems for Kitaev physics. All these systems show pronounced structural response to moderate pressures or even structural transitions to new phases which can be successfully addressed from first principles. The simulation techniques and general trends in pressure effects are discussed for each material class.

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