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1.	Alberto, H. V., et al. (författare) Slow-muon study of quaternary solar-cell materials : Single layers and p-n junctions 2018 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 2:2 Tidskriftsartikel (refereegranskat)abstract Thin films and p-n junctions for solar cells based on the absorber materials Cu(In, Ga) Se-2 and Cu2ZnSnS4 were investigated as a function of depth using implanted low energy muons. The most significant result is a clear decrease of the formation probability of the Mu(+) state at the heterojunction interface as well as at the surface of the Cu(In, Ga)Se-2 film. This reduction is attributed to a reduced bonding reaction of the muon in the absorber defect layer at its surface. In addition, the activation energies for the conversion from a muon in an atomiclike configuration to a anion-bound position are determined from temperature-dependence measurements. It is concluded that the muon probe provides a measurement of the effective surface defect layer width, both at the heterojunctions and at the films. The CIGS surface defect layer is crucial for solar-cell electrical performance and additional information can be used for further optimizations of the surface.
2.	Amirabbasi, Mohammad, et al. (författare) Lattice distortions and magnetic interactions in single-layer VOCl 2023 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 7:7 Tidskriftsartikel (refereegranskat)abstract Atomically thin layers exfoliated from magnetic van der Waals layered materials are currently of high interest in solid state physics. VOCl is a quasi-two-dimensional layered antiferromagnet which was recently synthesized in monolayer form. Previous theoretical studies have assumed the high-temperature orthorhombic lattice symmetry also in the low-temperature range, where the bulk system is known to be monoclinic due to a strong magnetoelastic coupling. We demonstrate from ab initio calculations that this monoclinic distortion is prevalent also in monolayers, which is in line with recent experimental indications of monoclinic symmetry. Our calculations also show that competing ferromagnetic and antiferromagnetic interactions cause a frustrated twofold magnetic superstructure where higher-order magnetic interactions play a key role.
3.	Andersson, Mikael, 1988, et al. (författare) Interplay of NH4+ and BH4- reorientational dynamics in NH4BH4 2020 Ingår i: Physical Review Materials. - 2475-9953. ; 4:8 Tidskriftsartikel (refereegranskat)abstract The reorientational dynamics of ammonium borohydride (NH4BH4) was studied using quasielastic neutron scattering in the temperature interval from 10 to 240 K, which covers both the dynamically ordered and disordered polymorphs of NH4BH4. In the low-temperature (50 K) ordered polymorph of NH4BH4, analysis of the quasielastic neutron scattering data reveals that no reorientational dynamics is present within the probed timescale region of 0.1 to 100 ps. In the high-temperature (50 K) disordered polymorph, the analysis establishes the onset of NH4+ and BH4- dynamics at around 50 and 125 K, respectively. The relaxation time at 150 K for NH4+ is approximately 1 ps, while around 100 ps for BH4- . The NH4+ dynamics at temperatures below 125 K is associated with preferential tetrahedral tumbling motions, where each of the hydrogen atoms in the NH4+ tetrahedron can visit any of the four hydrogen sites, however, reorientations around a specific axis are more frequently occurring (C-2 or C3). At higher temperatures, the analysis does not exclude a possible evolution of the NH4+ dynamics from tetrahedral tumbling to either cubic tumbling, where the hydrogen atoms can visit any of the eight positions corresponding to the corners of a cube, or isotropic rotational diffusion, where the hydrogen atoms can visit any location on the surface of a sphere. The BH4- dynamics can be described as cubic tumbling. The difference in reorientational dynamics between the two ions is related to the difference of the local environment where the dynamically much slower BH4- anion imposes a noncubic environment on the NH4+ cation.
4.	Anzellini, S., et al. (författare) Phase diagram of calcium at high pressure and high temperature 2018 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 2:8 Tidskriftsartikel (refereegranskat)abstract Resistively heated diamond-anvil cells have been used together with synchrotron x-ray diffraction to investigate the phase diagram of calcium up to 50 GPa and 800 K. The phase boundaries between the Ca-I (fcc), Ca-II (bcc), and Ca-III (simple cubic, sc) phases have been determined at these pressure-temperature conditions, and the ambient temperature equation of state has been generated. The equation of state parameters at ambient temperature have been determined from the experimental compression curve of the observed phases by using third-order Birch-Murnaghan and Vinet equations. A thermal equation of state was also determined for Ca-I and Ca-II by combining the room-temperature Birch-Murnaghan equation of state with a Berman-type thermal expansion model.
5.	Arapan, S., et al. (författare) Influence of antiphase boundary of the MnAl tau-phase on the energy product 2019 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 3:6 Tidskriftsartikel (refereegranskat)abstract In this paper, we use a multiscale approach to describe a realistic model of a permanent magnet based on MnAl tau-phase and elucidate how the antiphase boundary defects present in this material affect the energy product. We show how the extrinsic properties of a microstructure depend on the intrinsic properties of a structure with defects by performing micromagnetic simulations. For an accurate estimation of the energy product of a realistic permanent magnet based on the MnAl tau-phase with antiphase boundaries, we quantify exchange interaction strength across the antiphase boundary defect with a simple approach derived from first-principles calculations. These two types of calculations, performed at different scales, are linked via atomistic spin-dynamics simulations.
6.	Arpaia, Riccardo, 1985, et al. (författare) Engineering underdoped CuO2 nanoribbons in nm-thick a -axis YBa2Cu3 O7-δ films 2024 Ingår i: Physical Review Materials. - 2475-9953. ; 8:4 Tidskriftsartikel (refereegranskat)abstract In underdoped cuprate high-Tc superconductors, various local orders and symmetry-breaking states, in addition to superconductivity, reside in the CuO2 planes. The confinement of the CuO2 planes can therefore play a fundamental role in modifying the hierarchy between the various orders and their intertwining with superconductivity. Here we present the growth of a-axis oriented YBa2Cu3O7-δ films, spanning the whole underdoped side of the phase diagram. In these samples, the CuO2 planes are confined by the film thickness, effectively forming unit-cell-thick nanoribbons. The unidirectional confinement at the nanoscale enhances the in-plane anisotropy of the films. By x-ray diffraction and resistance vs temperature measurements, we have discovered the suppression of the orthorhombic-to-tetragonal transition at low dopings, and a very high anisotropy of the normal state resistance in the b-c plane, the latter being connected to a weak coupling between adjacent CuO2 nanoribbons. These findings show that the samples we have grown represent a novel system, different from the bulk, where future experiments can possibly shed light on the rich and mysterious physics occurring within the CuO2 planes.
7.	Arpaia, Riccardo, 1985, et al. (författare) Engineering underdoped CuO2 nanoribbons in nm-thick a -axis YBa2Cu3 O7-δ films 2024 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 8:4 Tidskriftsartikel (refereegranskat)abstract In underdoped cuprate high-Tc superconductors, various local orders and symmetry-breaking states, in addition to superconductivity, reside in the CuO2 planes. The confinement of the CuO2 planes can therefore play a fundamental role in modifying the hierarchy between the various orders and their intertwining with superconductivity. Here we present the growth of a-axis oriented YBa2Cu3O7-δ films, spanning the whole underdoped side of the phase diagram. In these samples, the CuO2 planes are confined by the film thickness, effectively forming unit-cell-thick nanoribbons. The unidirectional confinement at the nanoscale enhances the in-plane anisotropy of the films. By x-ray diffraction and resistance vs temperature measurements, we have discovered the suppression of the orthorhombic-to-tetragonal transition at low dopings, and a very high anisotropy of the normal state resistance in the b-c plane, the latter being connected to a weak coupling between adjacent CuO2 nanoribbons. These findings show that the samples we have grown represent a novel system, different from the bulk, where future experiments can possibly shed light on the rich and mysterious physics occurring within the CuO2 planes.
8.	Arpaia, Riccardo, 1985, et al. (författare) Probing the phase diagram of cuprates with YBa2Cu3O7−δ thin films and nanowires 2018 Ingår i: Physical Review Materials. - 2475-9953. ; 2:2 Tidskriftsartikel (refereegranskat)abstract We have grown and characterized 30-nm-thick YBa2Cu3O7−δ (YBCO) films, deposited by pulsed laser deposition on both MgO (110) and SrTiO3 (001) substrates, which induce opposite strain to the superconducting layer. By carefully tuning the in situ post-annealing oxygen pressure, we achieved, in a reproducible way, films at different oxygen doping, spanning from the slightly overdoped down to the strongly underdoped region of the phase diagram. The transport properties of the films, investigated through resistance versus temperature measurements, are in perfect qualitative agreement with single crystals. Starting from these films, we have also successfully fabricated nanowires with widths down to 65 nm, at different oxygen doping. The nanostructures exhibit characteristic temperatures (as the critical temperature Tc and the pseudogap temperature T∗) similar to those of the as-grown films and carry critical current densities Jc close to the critical depairing value, limited by vortex entry. This implies that the superconducting and the normal state properties of underdoped YBCO are preserved in our films, and they can be studied as a function of the dimensionality of the system, down to the nanoscale.
9.	Arpaia, Riccardo, 1985, et al. (författare) Untwinned YBa2Cu3O7-delta thin films on MgO substrates: A platform to study strain effects on the local orders in cuprates 2019 Ingår i: Physical Review Materials. - 2475-9953. ; 3:11 Tidskriftsartikel (refereegranskat)abstract We have grown untwinned YBa2Cu3O7-delta (YBCO) films on (110) MgO substrates that were preannealed at high temperature in oxygen atmosphere. The annealing results in surface reconstruction with shallow facets, which induce the suppression of the YBCO twinning domains, and the preferential alignment of the CuO chains along one of the in-plane directions of the substrate. Because of the large mismatch between the in-plane lattice parameters of film and substrate, the strain induced by the MgO into the YBCO layer is strong and very peculiar. The YBCO film is compressed, with respect to the bulk, and presents a unidirectional buckling of the atomic planes, along the chains' direction, due to a deformation of the copper-oxygen octahedra. The YBCO films, which can be grown with thicknesses down to few unit cells and oxygen doping levels spanning most of the superconducting dome, are patterned into nanowires with dimensions down to 50 nm. The anisotropies due to the untwinning state are preserved in these structures; moreover, additional anisotropies appear in ultrathin structures where strain effects become more pronounced. Such untwinned and compressively strained films can therefore be used as a platform to study the interplay between strain and the various local orders in the normal state of YBCO.
10.	Baba, Elbruz Murat, et al. (författare) Light-induced breathing in photochromic yttrium oxyhydrides 2020 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 4:2 Tidskriftsartikel (refereegranskat)abstract When exposed to air, metallic yttrium dihydride YH2 films turn into insulating and transparent yttrium oxyhydride (YHO). The incorporation of oxygen causes the lattice expansion of YH2 and the emergence of photochromic properties, i.e., YHO darkens reversibly when illuminated with light of adequate energy and intensity. However, the adequate bleaching of the photodarkened samples once the illumination has stopped is much faster in air than in inert atmosphere. According to this experimental evidence, the photochromic mechanism has to be related to an oxygen diffusion and exchange process. Since this process is accompanied by a lattice expansion/contraction, it can be said that YHO "breathes" when subjected to illumination/darkness cycling. Another interesting side effect of the breathing is the unexpected enhancement of the hydrophobicity of the YHO samples under illumination. A theoretical model able to explain the breathing in YHO is presented, together with the discussion of other alternative explanations.
11.	Benshalom, Nimrod, et al. (författare) Dielectric response of rock-salt crystals at finite temperatures from first principles 2022 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 6:3 Tidskriftsartikel (refereegranskat)abstract We combine ab initio simulations and Raman scattering measurements to demonstrate explicit anharmonic effects in the temperature-dependent dielectric response of a NaCl single crystal. We measure the temperature evolution of its Raman spectrum and compare it to both a quasiharmonic and anharmonic model. Results demonstrate the necessity of including anharmonic lattice dynamics to explain the dielectric response of NaCl, as it is manifested in Raman scattering. Our model fully captures the linear dielectric response of a crystal at finite temperatures and may therefore be used to calculate the temperature dependence of other material properties governed by it.
12.	Bergqvist, Lars, 1976-, et al. (författare) Realistic finite temperature simulations of magnetic systems using quantum statistics 2018 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 2:1 Tidskriftsartikel (refereegranskat)abstract We have performed realistic atomistic simulations at finite temperatures using Monte Carlo and atomistic spin dynamics simulations incorporating quantum (Bose-Einstein) statistics. The description is much improved at low temperatures compared to classical (Boltzmann) statistics normally used in these kind of simulations, while at higher temperatures the classical statistics are recovered. This corrected low-temperature description is reflected in both magnetization and the magnetic specific heat, the latter allowing for improved modeling of the magnetic contribution to free energies. A central property in the method is the magnon density of states at finite temperatures, and we have compared several different implementations for obtaining it. The method has no restrictions regarding chemical and magnetic order of the considered materials. This is demonstrated by applying the method to elemental ferromagnetic systems, including Fe and Ni, as well as Fe-Co random alloys and the ferrimagnetic system GdFe3.
13.	Bernardes, Yuri, et al. (författare) Direct observation of large-area strain propagation on free-standing nanomembranes 2023 Ingår i: Physical Review Materials. - 2475-9953. ; 7:2 Tidskriftsartikel (refereegranskat)abstract Investigations on epitaxial nanostructures with size of tens of nanometers have been a challenging issue for techniques that present high strain sensitivity but restricted spatial resolution. This is the case of recently developed x-ray nanoprobe techniques. Despite its inherent nondestructive character, submicron x-ray spots have only been successfully applied to the study of individual nanostructures which are either strain free or present extremely mild spatial lattice parameter gradients. Such limitation, with an uttermost barrier given by the diffraction limit, leads to voxel or pixel sizes between 5 and 10 nm obtained in coherent diffraction imaging or ptychographic reconstructions of real-space objects. Whenever the strain field of a nanostructure is successfully reconstructed from reciprocal space measurements, it cannot vary considerably in short distances since this would induce diffraction peak broadening and cause abrupt phase variations, leading to convergence issues on reconstruction algorithms. Here we show how epitaxial systems with large lattice mismatch and appreciable interfacial strain can be identified and directly analyzed throughout their strain field propagation in nanometer-thin crystalline membrane platforms, using the InGaAs/GaAs Stranski-Krastanov system as a model. The strain-induced footprint becomes observable along a few microns if the membrane thickness is comparable to the nanostructure size. It is possible to retrieve both interfacial strain and nanostructure size by probing individual objects.
14.	Bischoff, Thomas, et al. (författare) Nonempirical hybrid functionals for band gaps of inorganic metal-halide perovskites 2019 Ingår i: Physical Review Materials. - 2475-9953. ; 3:12 Tidskriftsartikel (refereegranskat)abstract Nonempirical hybrid functionals are investigated for band-gap predictions of inorganic metal-halide perovskites belonging to the class CsBX3, with B = Ge, Sn, Pb and X = Cl, Br, I. We consider both global and range-separated hybrid functionals and determine the parameters through two different schemes. The first scheme is based on the static screening response of the material and thus yields dielectric-dependent hybrid functionals. The second scheme defines the hybrid functionals through the enforcement of Koopmans' condition for localized defect states. We also carry out quasiparticle self-consistent GW calculations with vertex corrections to establish state-of-the-art references. For the investigated class of materials, dielectric-dependent functionals and those fulfilling Koopmans' condition yield band gaps of comparable accuracy (similar to 0.2 eV), but the former only require calculations for the primitive unit cell and are less subject to the specifics of the material.
15.	Blixt, Kevin H., et al. (författare) Phase field crystal modeling of grain boundary structures in diamond cubic systems 2024 Ingår i: Physical Review Materials. - 2475-9953. ; 8:3 Tidskriftsartikel (refereegranskat)abstract Phase field crystal (PFC) modeling has proved to be a versatile numerical tool in the analysis of crystalline microstructures. Most often, however, the focus is put on bulk crystal behavior, while crystal defects such as grain boundaries (GBs) are less explored. This is, in particular, the case for crystal structures beyond fcc and bcc. In this work, the possibilities and challenges in adopting PFC to diamond cubic (DC) crystal structures is investigated. Three different PFC models are considered for this purpose. One of them was published previously, and two are modifications proposed in the present work. The models are compared in terms of both DC phase stabilization and their ability to provide relevant GB structures. The models employ combinations of two- and three-point correlations, and the addition of a three-point correlation is found to be required for stabilization of the expected DC GB structures. It is concluded that although each of the models has limitations in terms of the GB structures which can be stabilized and performance in terms of phase stability, key PFC components for successful modeling of DC structures can be identified.
16.	Bodlos, R., et al. (författare) Ab initio investigation of the atomic volume, thermal expansion, and formation energy of WTi solid solutions 2021 Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 5:4 Tidskriftsartikel (refereegranskat)abstract WTi is used as an adhesive layer in integrated circuit devices. The temperature dependent mechanical properties of WTi are still largely unexplored. In this paper we investigate WTi solid solutions with density functional theory calculations to determine the temperature and concentration dependent behavior of volume and coefficient of thermal expansion. The coefficient of thermal expansion is analyzed in terms of the bulk modulus, heat capacity, and Gruneisen parameter. Furthermore, we gain insight into the bonding of the system via investigation of the electronic structure, phonon density of states, and analysis of the formation energy. Low Ti concentrations lead to strong W-Ti bonding, as manifested in additional high frequency peaks in the phonon density of states. As a consequence, deviations from Vegard's law are found at low Ti concentrations, with a minimum of the lattice constant at about 15 at.% Ti. The CTE as a function of Ti concentration shows a negative trend at low temperatures and Ti concentrations, which is related to a strong decrease of heat capacity. Finally we show that the Debye-Gruneisen model yields results for WTi comparable to the quasiharmonic approach at a fraction of the computational cost.
17.	Borisov, Vladislav, et al. (författare) Tuning skyrmions in B20 compounds by 4d and 5d doping 2022 Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 6:8 Tidskriftsartikel (refereegranskat)abstract Skyrmion stabilization in novel magnetic systems with the B20 crystal structure is reported here, primarily based on theoretical results. The focus is on the effect of alloying on the 3d sublattice of the B20 structure by substitution of heavier 4d and 5d elements, with the ambition to tune the spin-orbit coupling and its influence on magnetic interactions. State-of-the-art methods based on density functional theory are used to calculate both isotropic and anisotropic exchange interactions. Significant enhancement of the Dzyaloshinskii-Moriya interaction is reported for 5d-doped FeSi and CoSi, accompanied by a large modification of the spin stiffness and spiralization. Micromagnetic simulations coupled to atomistic spin-dynamics and ab initio magnetic interactions reveal the spin-spiral nature of the magnetic ground state and field-induced skyrmions for all these systems. Especially small skyrmions similar to 50 nm are predicted for Co0.75Os0.25Si, compared to similar to 148 nm for Fe0.75Co0.25Si. Convex-hull analysis suggests that all B20 compounds considered here are structurally stable at elevated temperatures and should be possible to synthesize. This prediction is confirmed experimentally by synthesis and structural analysis of the Ru-doped CoSi systems discussed here, both in powder and in single-crystal forms.
18.	Brem, Samuel, 1991, et al. (författare) Electrically pumped graphene-based Landau-level laser 2018 Ingår i: Physical Review Materials. - 2475-9953. ; 2:3 Tidskriftsartikel (refereegranskat)abstract Graphene exhibits a nonequidistant Landau quantization with tunable Landau-level (LL) transitions in the technologically desired terahertz spectral range. Here, we present a strategy for an electrically driven terahertz laser based on Landau-quantized graphene as the gain medium. Performing microscopic modeling of the coupled electron, phonon, and photon dynamics in such a laser, we reveal that an inter-LL population inversion can be achieved resulting in the emission of coherent terahertz radiation. The presented paper provides a concrete recipe for the experimental realization of tunable graphene-based terahertz laser systems.
19.	Carvalho, P. C., et al. (författare) Complex magnetic textures in Ni/Ir-n/Pt(111) ultrathin films 2021 Ingår i: Physical Review Materials. - : American Physical Society. - 2475-9953. ; 5:12 Tidskriftsartikel (refereegranskat)abstract A combined approach using first-principles calculations and spin dynamics simulations is applied to study Ni/Ir-n/Pt(111) (n = 0, 1, 2) films. The lowest-energy states are predicted to be spin spirals but with a minute (of the order of a few mu eV/atom) energy difference with skyrmionic states. The spontaneous low-temperature skyrmions, with similar to 15 nm to similar to 35 nm size, arise from a large Dzyaloshinskii-Moriya (DM) and Heisenberg exchange interactions ratio and, in particular, from a large in-plane DM vector component for nearest neighbors. The skyrmions become larger and more dispersed with the enhancement of the Ir buffer thickness. Also, with increasing n, the skyrmions' stability decreases when an external magnetic field is applied or the temperature is raised. For n = 0 and n = 1, we find that metastable skyrmioniums can occur, which are characterized by a slightly lower stability with respect to the external fields and larger critical currents, compared to skyrmions.
20.	Casillas Trujillo, Luis, et al. (författare) Identification of materials with strong magnetostructural coupling using computational high-throughput screening 2021 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 5:3 Tidskriftsartikel (refereegranskat)abstract Important phenomena such as magnetostriction, magnetocaloric, and magnetoelectric effects arise from, or could be enhanced by, the coupling of magnetic and structural degrees of freedom. The coupling of spin and lattice also influence transport and structural properties in magnetic materials, in particular around phase transitions. In this paper we propose a method for screening materials for a strong magnetostructural coupling by assessing the effect of the local magnetic configuration on the atomic forces using density functional theory. We have employed the disordered local moment approach in a supercell formulation to probe different magnetic local configurations and their forces and performed a high-throughput search on binary and ternary compounds available in the Crystallography Open Database. We identify a list of materials with a strong spin-lattice coupling out of which several are already known to display magnetolattice coupling phenomena such as Fe3O4 and CrN. Others, such as Mn2CrO4 and CaFe7O11, have been less studied and have yet to reveal their potentials in experiments and applications.
21.	Casillas Trujillo, Luis, et al. (författare) Interstitial carbon in bcc HfNbTiVZr high-entropy alloy from first principles 2020 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 4:12 Tidskriftsartikel (refereegranskat)abstract The remarkable mechanical properties of high-entropy alloys can be further improved by interstitial alloying. In this work we employ density functional theory calculations to study the solution energies of dilute carbon interstitial atoms in tetrahedral and octahedral sites in bcc HfNbTiVZr. Our results indicate that carbon interstitials in tetrahedral sites are unstable, and the preferred octahedral sites present a large spread in the energy of solution. The inclusion of carbon interstitials induces large structural relaxations with long-range effects. The effect of local chemical environment on the energy of solution is investigated by performing a local cluster expansion including studies of its correlation with the carbon atomic Voronoi volume. However, the spread in solution energetics cannot be explained with a local environment analysis only pointing towards a complex, long-range influence of interstitial carbon in this alloy.
22.	Champagne, A., et al. (författare) First-order Raman scattering of rare-earth containing i-MAX single crystals (Mo2/3RE1/3)(2)AlC (RE = Nd, Gd, Dy, Ho, Er) 2019 Ingår i: Physical Review Materials. - : AMER PHYSICAL SOC. - 2475-9953. ; 3:5 Tidskriftsartikel (refereegranskat)abstract Herein, we report on the growth of single crystals of various (Mo2/3RE1/3)(2)AlC (RE = Nd, Gd, Dy, Ho, Er) i-MAX phases and their Raman characterization. Using first principles, the wave numbers of the various phonon modes and their relative atomic displacements are calculated and compared to experimental results. Twelve high-intensity Raman peaks are identified as the fingerprint of this new family of rare-earth containing i-MAX phases, thus being a useful tool to investigate their corresponding composition and structural properties. Indeed, while a redshift is observed in the low-wave-number range due to an increase of the rare-earth atomic mass when moving from left to right on the lanthanide row, a blueshift is observed for most of the high-wave-number modes due to a strengthening of the bonds. A complete classification of bond stiffnesses is achieved based on the direct dependence of a phonon mode wave number with respect to the bond stiffness. Finally, STEM images are used to confirm the crystal structure.
23.	Chen, Zhesheng, et al. (författare) Time-resolved photoemission spectroscopy of electronic cooling and localization in CH3 NH3 PbI3 crystals 2017 Ingår i: Physical Review Materials. - 2475-9953. ; 1:4 Tidskriftsartikel (refereegranskat)abstract We measure the surface of CH3NH3PbI3 single crystals by making use of two-photon photoemission spectroscopy. Our method monitors the electronic distribution of photoexcited electrons, explicitly discriminating the initial thermalization from slower dynamical processes. The reported results disclose the fast-dissipation channels of hot carriers (0.25 ps), set an upper bound to the surface-induced recombination velocity (<4000 cm/s), and reveal the dramatic effect of shallow traps on the electrons dynamics. The picosecond localization of excited electrons in degraded CH3NH3PbI3 samples is consistent with the progressive reduction of photoconversion efficiency in operating devices. Minimizing the density of shallow traps and solving the aging problem may boost the macroscopic efficiency of solar cells to the theoretical limit.
24.	Ciuciulkaite, Agne, MSc, 1991-, et al. (författare) Magnetic and all-optical switching properties of amorphous TbxCo100-x alloys 2020 Ingår i: Physical Review Materials. - : American Physical Society (APS). - 2475-9953. ; 4:10 Tidskriftsartikel (refereegranskat)abstract Amorphous TbxCo100-x magnetic alloys exhibit a list of intriguing properties, such as perpendicular magnetic anisotropy, high magneto-optical activity, and magnetization switching using ultrashort optical pulses. Varying the Tb:Co ratio in these alloys allows for tuning properties such as the saturation magnetic moment, coercive field, and the performance of light-induced magnetization switching. In this paper, we investigate the magnetic, optical, and magneto-optical properties of various TbxCo100-x thin-film alloy compositions. We report on the effect the choice of different seeding layers has on the structural and magnetic properties of TbxCo100-x layers. We also demonstrate that for a range of alloys, deposited on fused silica substrates, with Tb content of 24-30 at. %, helicity-dependent all-optical switching of magnetization can be achieved, albeit in a multishot framework. We explain this property to arise from the helicity-dependent laser-induced magnetization on the Co sublattice due to the inverse Faraday effect. Our paper provides an insight into material aspects for future potential hybrid magnetoplasmonic TbCo-based architectures.
25.	Colvin, Jovana, et al. (författare) Local defect-enhanced anodic oxidation of reformed GaN nanowires 2020 Ingår i: Physical Review Materials. - 2475-9953. ; 4:7 Tidskriftsartikel (refereegranskat)abstract Understanding formation and distribution of defects in GaN substrates and device layers is needed to improve device performance in rf and power electronics. Here we utilize conductive atomic force microscopy (c-AFM) for studying defect-related leakage paths in an unintentionally doped GaN film formed by nanowire reformation. A nanoscopic Schottky contact is formed between the c-AFM probe and the GaN surface, which, under reverse-bias conditions, reveals local leakage currents at the positions of the nanowires. Cathodoluminescence shows these areas to be dominated by yellow-band luminescence, in contrast to the surrounding GaN matrix, which mainly shows near-band-gap luminescence. These results are attributed to a high density of native and residual defects, confined to the nanowires. In addition, we use anodic oxidation to map defect-related conductive paths through locally induced growth of gallium oxide. The oxide yield, which is known to depend on the local electric field strength between the AFM tip and the sample, correlates well with the level of reverse-bias leakage current. Local irregularities in oxide height reveal extended oxidation attributed to defect-related deep-level states. Thisis confirmed by controlled dissolution of the oxide in NaOH, showing that a deeper oxide film is grown over areas where defect-related conductive paths are formed. Finally, we demonstrate how this approach can be used as a quick and easy diagnostic tool for evaluating the influence of specific growth conditions and process steps on defect-induced leakage current levels and defect distribution in GaN structures, demonstrating its potential for accelerated test of leakage degradation at critical positions in GaN-based devices.

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