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Anharmonic lattice vibrations play a key role in many physical phenomena. They govern the heat conductivity of solids, strongly affect the phonon spectra, play a prominent role in soft mode phase transitions, allow ultrafast engineering of…

Materials Science · Physics 2026-02-12 Gili Scharf , Tomer Hasharoni , Lara Donval , Leah Ben Gur , Alon Ron

First-principles calculations are used in order to investigate phonon anomalies in non-magnetic and magnetic Heusler alloys. Phonon dispersions for several systems in their cubic L2$\mathrm{_1}$ structure were obtained along the [110]…

Materials Science · Physics 2016-08-31 A. T. Zayak , P. Entel , K. M. Rabe , W. A. Adeagbo , M. Acet

The article presents a mapping of the residual strain along the axis of InAs/InSb heterostructured nanowires. Using confocal Raman measurements, we observe a gradual shift in the TO phonon mode along the axis of these nanowires. We…

Transport properties of holes in InP nanowires were calculated considering electron-phonon interaction via deformation potentials, the effect of temperature and strain fields. Using molecular dynamics, we simulate nanowire structures,…

The anharmonic phonon properties of SnSe in the Pnma phase were investigated with a combination of experiments and first-principles simulations. Using inelastic neutron scattering (INS) and nuclear resonant inelastic X-ray scattering…

Structural modifications in InP(111) due to 1.5 MeV implantation of Sb have been characterized using first order and second order Raman spectroscopy. With both Longitudinal Optical (LO) and Transverse Optical (TO) modes allowed for…

Materials Science · Physics 2007-08-21 D. Paramanik , S. Varma

Effects of strong phonon anharmonicity of a type-I clathrate Ba$_{\rm 8}$Ga$_{\rm 16}$Sn$_{\rm 30}$ induced by quadruple-well potential of guest atoms were investigated. Phonon transport including coherent interbranch component was analyzed…

Materials Science · Physics 2025-05-01 Masato Ohnishi , Terumasa Tadano , Shinji Tsuneyuki , Junichiro Shiomi

The in-plane optical phonons around 200 meV in few-layer graphene are investigated utilizing infrared absorption spectroscopy. The phonon spectra exhibit unusual asymmetric features characteristic of Fano resonances, which depend critically…

Mesoscale and Nanoscale Physics · Physics 2015-05-30 Zhiqiang Li , Chun Hung Lui , Emmanuele Cappelluti , Lara Benfatto , Kin Fai Mak , G. Larry Carr , Jie Shan , Tony F. Heinz

We investigate exemplary the longitudinal optical (LO) mode order in compounds with a plasmon or plasmon-like phonon mode and additional phonon modes. When the oscillator strength of the plasmon or plasmon-like mode is gradually increased,…

Materials Science · Physics 2020-06-24 Thomas G. Mayerhöfer , Jürgen Popp

The evolution of the optical phonons in layered semiconductor alloys SnSe1-xSx is studied as a function of the composition by using polarized Raman spectroscopy with six different excitation wavelengths (784.8, 632.8, 532, 514.5, 488, and…

Thermal effects are well known to influence the electronic and optical properties of materials through several physical mechanisms and are the basis for various optoelectronic devices. The thermo-optic (TO) effect - the refractive index…

Optics · Physics 2023-01-31 Shany Zrihan Cohen , Danveer Singh , Sukanta Nandi , Tomer Lewi

The variational stochastic self-consistent harmonic approximation is combined with the calculation of third-order anharmonic coefficients within density-functional perturbation theory and the "$2n+1$" theorem to calculate anharmonic…

Materials Science · Physics 2015-06-16 Lorenzo Paulatto , Ion Errea , Matteo Calandra , Francesco Mauri

Despite extensive research interests in perovskite oxides, low energy consumption, non-destructive and maneuverable methods for phase transition in perovskite oxides are still the under its exploration, and the underlying mechanisms remain…

Materials Science · Physics 2023-08-10 Cong Zhou , Jian Zhou

Femtosecond optical pulses at mid-infrared frequencies have opened up the nonlinear control of lattice vibrations in solids. So far, all applications have relied on second order phonon nonlinearities, which are dominant at field strengths…

Materials Science · Physics 2018-04-04 Alexander von Hoegen , Roman Mankowsky , Michael Fechner , Michael Först , Andrea Cavalleri

The plasmon resonances (modes) of a metal nanostructure can be defined as a dipole, a quadrupole, or high-order modes depending on the surface charge distribution induced by the incident field. In a non-symmetrical environment or clusters,…

Lattice dynamics for several ordered supercells with composition PbMg1/3Nb2/3O (PMN) were calculated with first-principles frozen phonon methods. Nominal symmetries of the supercells studied are reduced by lattice instabilities. Lattice…

Materials Science · Physics 2009-11-10 S. A. Prosandeev , E. Cockayne , E. P. Burton

Interface impedes heat flow in heterostructures and the interfacial thermal resistance (ITR) has become a critical issue for thermal dissipation in electronic devices. To explore the mechanism leading to the ITR, in this work, the dynamic…

Applied Physics · Physics 2023-06-28 Quanjie Wang , Jie Zhang , Vladimir Chernysh , Xiangjun Liu

In indirect band gap materials, phonon-assisted processes are key mechanisms for photoluminescence (PL). Using a first-principles many-body approach, we systematically investigate the phonon-assisted PL in bilayer MoS$_2$ and its dependence…

Materials Science · Physics 2026-02-25 Gyanu P. Kafle , Zhen-Fei Liu

Strain tuning is a powerful experimental method in probing correlated electron systems. Here we study the strain response of the lattice dynamics and electronic structure in semiconductor Ta$_2$NiS$_5$ by polarization-resolved Raman…