| 1. |
- Magnuson, Martin, 1965-, et al.
(författare)
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Electronic Structure and Chemical Bonding of AmorphousChromium Carbide Thin Films
- 2012
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Ingår i: Journal of Physics. - IOP Publishing : IOP Publishing. - 0953-8984 .- 1361-648X. ; 24, s. 225004-
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Tidskriftsartikel (refereegranskat)abstract
- The microstructure, electronic structure, and chemical bonding of chromium carbidethin films with different carbon contents have been investigated with high-resolutiontransmission electron microscopy, electron energy loss spectroscopy and soft x-rayabsorption-emission spectroscopies. Most of the films can be described as amorphousnanocomposites with non-crystalline CrCx in an amorphous carbon matrix. At highcarbon contents, graphene-like structures are formed in the amorphous carbon matrix.At 47 at% carbon content, randomly oriented nanocrystallites are formed creating acomplex microstructure of three components. The soft x-ray absorption-emissionstudy shows additional peak structures exhibiting non-octahedral coordination andbonding.
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| 2. |
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| 3. |
- Prinz, Christelle
(författare)
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Interactions between semiconductor nanowires and living cells.
- 2015
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Ingår i: Journal of Physics: Condensed Matter. - : IOP Publishing. - 1361-648X .- 0953-8984. ; 27:23
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Forskningsöversikt (refereegranskat)abstract
- Semiconductor nanowires are increasingly used for biological applications and their small dimensions make them a promising tool for sensing and manipulating cells with minimal perturbation. In order to interface cells with nanowires in a controlled fashion, it is essential to understand the interactions between nanowires and living cells. The present paper reviews current progress in the understanding of these interactions, with knowledge gathered from studies where living cells were interfaced with vertical nanowire arrays. The effect of nanowires on cells is reported in terms of viability, cell-nanowire interface morphology, cell behavior, changes in gene expression as well as cellular stress markers. Unexplored issues and unanswered questions are discussed.
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| 4. |
- Feierabend, Maja, 1990, et al.
(författare)
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Optical fingerprint of non-covalently functionalized transition metal dichalcogenides
- 2017
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Ingår i: Journal of Physics Condensed Matter. - 0953-8984 .- 1361-648X. ; 29:38, s. Article no 384003 -
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Tidskriftsartikel (refereegranskat)abstract
- Atomically thin transition metal dichalcogenides (TMDs) hold promising potential forapplications in optoelectronics. Due to their direct band gap and the extraordinarily strong Coulomb interaction, TMDs exhibit efficient light-matter coupling and tightly bound excitons. Moreover, large spin orbit coupling in combination with circular dichroism allows for spin and valley selective optical excitation. As atomically thin materials, they are very sensitive to changes in the surrounding environment. This motivates a functionalization approach, where external molecules are adsorbed to the materials surface to tailor its optical properties. Here, we apply the density matrix theory to investigate the potential of non-covalently functionalized monolayer TMDs. Considering exemplary molecules with a strong dipole moment, we predict spectral redshifts and the appearance of an additional side peak in the absorption spectrum of functionalized TMDs. We show that the molecular characteristics, e.g. coverage, orientation and dipole moment, crucially influence the optical properties of TMDs, leaving a unique optical fingerprint in the absorption spectrum. Furthermore, we find that the molecular dipole moments open a channel for coherent intervalley coupling between the high-symmetry K and K' points which may create new possibilities for spin-valleytronics application.
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| 5. |
- Gryglas-Borysiewicz, Marta, et al.
(författare)
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Hydrostatic-pressure-induced changes of magnetic anisotropy in (Ga, Mn) As thin films
- 2017
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 29:11
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Tidskriftsartikel (refereegranskat)abstract
- The impact of hydrostatic pressure on magnetic anisotropy energies in (Ga, Mn) As thin films with in-plane and out-of-plane magnetic easy axes predefined by epitaxial strain was investigated. In both types of sample we observed a clear increase in both in-plane and out-of-plane anisotropy parameters with pressure. The out-of-plane anisotropy constant is well reproduced by the mean-field p-d Zener model; however, the changes in uniaxial anisotropy are much larger than expected in the Mn-Mn dimer scenario.
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| 6. |
- John Mukkattukavil, Deepak, et al.
(författare)
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Resonant inelastic soft x-ray scattering on LaPt2Si2
- 2022
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Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 34:32, s. 324003-
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Tidskriftsartikel (refereegranskat)abstract
- X-ray absorption and resonant inelastic x-ray scattering spectra of LaPt2Si2 single crystal at the Si 2p and La 4d edges are presented. The data are interpreted in terms of density functional theory, showing that the Si spectra can be described in terms of Si s and d local partial density of states (LPDOS), and the La spectra are due to quasi-atomic local 4f excitations. Calculations show that Pt d-LPDOS dominates the occupied states, and a sharp localized La f state is found in the unoccupied states, in line with the observations.
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| 7. |
- Lu, Hongduo, et al.
(författare)
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Ionic liquid interface at an electrode: Simulations of electrochemical properties using an asymmetric restricted primitive model
- 2018
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Ingår i: Journal of Physics Condensed Matter. - 0953-8984 .- 1361-648X. ; 30
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Tidskriftsartikel (refereegranskat)abstract
- © 2018 IOP Publishing Ltd. We use Monte Carlo simulations of a coarse-grained model to investigate structure and electrochemical behaviours at an electrode immersed in room temperature ionic liquids (RTILs). The simple RTIL model, which we denote the asymmetric restricted primitive model (ARPM), is composed of monovalent hard-sphere ions, all of the same size, in which the charge is asymmetrically placed. Not only the hard-sphere size (d), but also the charge displacement (b), is identical for all species, i.e. the monovalent RTIL ions are fully described by only two parameters (d, b). In earlier work, it was demonstrated that the ARPM can capture typical static RTIL properties in bulk solutions with remarkable accuracy. Here, we investigate its behaviour at an electrode surface. The electrode is assumed to be a perfect conductor and image charge methods are utilized to handle polarization effects. We find that the ARPM of the ionic liquid reproduces typical (static) electrochemical properties of RTILs. Our model predicts a declining differential capacitance with increasing temperature, which is expected from simple physical arguments. We also compare our ARPM, with the corresponding RPM description, at an elevated temperature (1000 K). We conclude that, even though ion pairing occurs in the ARPM system, reducing the concentration of 'free' ions, it is still better able to screen charge than a corresponding RPM melt. Finally, we evaluate the option to coarse-grain the model even further, by treating the fraction of the ions that form ion pairs implicitly, only through the contribution to the dielectric constant of the corresponding dipolar (ion pair) fluid. We conclude that this primitive representation of ion pairing is not able to reproduce the structures and differential capacitances of the system with explicit ion pairs. The main problem seems to be due to a limited dielectric screening in a layer near the electrode surface, resulting from a combination of orientational restrictions and a depleted dipole density.
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| 8. |
- Midtvedt, Daniel, 1988, et al.
(författare)
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Multi-scale approach for strain-engineering of phosphorene
- 2017
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Ingår i: Journal of Physics Condensed Matter. - 0953-8984 .- 1361-648X. ; 29:18, s. Article nr 185702 -
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Tidskriftsartikel (refereegranskat)abstract
- A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a valence-force model to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model with distance-dependent hopping parameters to obtain electronic properties. The resulting self-consistent electromechanical model is suitable for large-scale modeling of phosphorene devices. We demonstrate this for the case of inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel.
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| 9. |
- Roosen-Runge, Felix, et al.
(författare)
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Self-diffusion of nonspherical particles fundamentally conflicts with effective sphere models
- 2021
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Ingår i: Journal of Physics. - : Institute of Physics Publishing (IOPP). - 0953-8984 .- 1361-648X. ; 33:15
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Tidskriftsartikel (refereegranskat)abstract
- Modeling diffusion of nonspherical particles presents an unsolved and considerable challenge, despite its importance for the understanding of crowding effects in biology, food technology and formulation science. A common approach in experiment and simulation is to map nonspherical objects on effective spheres to subsequently use the established predictions for spheres to approximate phenomena for nonspherical particles. Using numerical evaluation of the hydrodynamic mobility tensor, we show that this so-called effective sphere model fundamentally fails to represent the self-diffusion in solutions of ellipsoids as well as rod-like assemblies of spherical beads. The effective sphere model drastically overestimates the slowing down of self-diffusion down to volume fractions below 0.01. Furthermore, even the linear term relevant at lower volume fraction is inaccurate, linked to a fundamental misconception of effective sphere models. To overcome the severe problems related with the use of effective sphere models, we suggest a protocol to predict the short-time self-diffusion of rod-like systems, based on simulations with hydrodynamic interactions that become feasible even for more complex molecules as the essential observable shows a negligible system-size effect.
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| 10. |
- Östman, Erik, et al.
(författare)
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Ising-like behaviour of mesoscopic magnetic chains
- 2018
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Ingår i: Journal of Physics. - : IOP Publishing. - 0953-8984 .- 1361-648X. ; 30:36
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Tidskriftsartikel (refereegranskat)abstract
- We demonstrate an experimental realization of the short range magnetic order in a one-dimensional Ising chain using fabricated mesospins. We confirm an excellent agreement between the experimental findings and simulations obtained using the original Ising model. In particular, we are able to show that the thermal behaviour of the mesoscopic Ising chain dominates over the thermal behaviour of the individual mesospins themselves, confirming that fabricated mesospins can be viewed as artificial magnetic atoms.
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