Vacancy and phonon dispersion properties of Be, Co, Hf, Mg, and Re by modified embedded atom method potentials
Sign Up to like & getrecommendations! Published in 2021 at "Journal of Molecular Modeling"
DOI: 10.1007/s00894-021-04759-4
Abstract: The modified embedded atom method (MEAM) potentials improved by Jin et al. (Appl. Phys. A120 (2015), p. 189) were applied to calculate the mono- and bi-vacancy properties as well as the phonon dispersions for hexagonal… read more here.
Keywords: modified embedded; embedded atom; phonon dispersion; vacancy ... See more keywords
First principles study on phonon dispersion, mechanical and thermodynamic properties of ThP
Sign Up to like & getrecommendations! Published in 2020 at "Materials today communications"
DOI: 10.1016/j.mtcomm.2020.101951
Abstract: Abstract In the present study, the density functional theory and the ab initio method in projector augmented wave (PAW) pseudopotentials framework have been used to calculate the phonon spectrum, structural, elastic and thermodynamic properties of… read more here.
Keywords: thermodynamic properties; phonon dispersion; principles study; properties thp ... See more keywords
Electronic, Optical, and Elastic Properties of CaFI Monolayer and Acoustic Phonon Dispersion at Hypersonic Frequencies Using Density Functional Theory and beyond with Random Phase Approximation and Bethe–Salpeter Equation
Sign Up to like & getrecommendations! Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.1c06437
Abstract: The extraordinary properties of graphene have motivated us to investigate a novel 2D compound. In this framework, we study the structural, vibrational, electronic, optical, and elastic properties of a new two-dimensional CaFI monolayer, using DFT,… read more here.
Keywords: cafi monolayer; electronic optical; phonon dispersion; monolayer ... See more keywords
Measuring phonon dispersion at an interface.
Sign Up to like & getrecommendations! Published in 2021 at "Nature"
DOI: 10.1038/s41586-021-03971-9
Abstract: The breakdown of translational symmetry at heterointerfaces leads to the emergence of new phonon modes localized at the interface1. These modes have an essential role in thermal and electrical transport properties in devices, especially in… read more here.
Keywords: measuring phonon; interface; dispersion interface; phonon dispersion ... See more keywords
Anomalous low energy phonon dispersion in bulk silicon-germanium observed by inelastic x-ray scattering
Sign Up to like & getrecommendations! Published in 2020 at "Applied Physics Letters"
DOI: 10.1063/5.0010506
Abstract: We report on an anomalous mode distinct from both optical and acoustic modes in phonon dispersion curves of bulk Si1−xGex alloy with x taking the values of 0.16, 0.32, 0.45, and 0.72. The anomalous mode… read more here.
Keywords: inelastic ray; anomalous mode; phonon dispersion;
Chirality-Induced Phonon Dispersion in a Noncentrosymmetric Micropolar Crystal.
Sign Up to like & getrecommendations! Published in 2020 at "Physical review letters"
DOI: 10.1103/physrevlett.125.245302
Abstract: Features of the phonon spectrum of a chiral crystal are examined within the micropolar elasticity theory. This formalism accounts for not only translational micromotions of a medium but also rotational ones. It is found that… read more here.
Keywords: chirality; phonon dispersion; chirality induced; dispersion noncentrosymmetric ... See more keywords
Inelastic Neutron Scattering Study of Phonon Dispersion Relation in Higher Manganese Silicides
Sign Up to like & getrecommendations! Published in 2023 at "Crystals"
DOI: 10.3390/cryst13050741
Abstract: We report inelastic neutron scattering (INS) measurements of the phonon dispersion relation in higher manganese silicides (HMSs). A large ingot of HMS is synthesized using a slow cooling method, which is found to have Mn15Si26… read more here.
Keywords: dispersion relation; dispersion; neutron scattering; inelastic neutron ... See more keywords