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Inelastic neutron scattering measurements on the molecular dimer-Mott insulator $\kappa$-(BEDT-TTF)$_{2}$Cu[N(CN)$_{2}$]Cl reveal a phonon anomaly in a wide temperature range. Starting from $T_{\rm ins}\sim50$-$60$ K where the charge gap…

First principles-based predictions of lattice thermal conductivity (TC) from perturbation theory have achieved significant success. Usually, it only included three-phonon (3ph) scattering processes, only recently four-phonon (4ph)…

Materials Science · Physics 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

Electron scattering problem in the monolayer graphene with short-range impurities is considered. The main novel element in the suggested model is the band asymmetry of the defect potential in the 2+1-dimensional Dirac equation. This…

Mesoscale and Nanoscale Physics · Physics 2013-05-29 Natalie E. Firsova

Thermal management is extremely important for designing high-performance devices. The lattice thermal conductivity of materials is strongly dependent on the structural defects at different length scales, particularly point defects like…

Materials Science · Physics 2021-02-24 Yandong Sun , Yanguang Zhou , Ming Hu , G. Jeffrey Snyder , Ben Xu , Wei Liu

Insight about the scattering mechanisms responsible for reduction in the lattice thermal conductivity (\k{appa}L) in Half-Heusler alloys (HHA) is imperative. In this context, we have thoroughly investigated the temperature response of…

Materials Science · Physics 2023-06-07 Kavita Yadav , Saurabh Singh , Omprakash Muthuswamy , Tsunehiro Takeuchi , K. Mukherjee

Interatomic potentials beyond quadratic order provide scattering sources for phonon transport in lattice. By using a weakly-interacting interface model, we investigated the relation between the order of interatomic potential and the…

Materials Science · Physics 2022-02-23 Hangbo Zhou , Gang Zhang , Yong-Wei Zhang

Anharmonic lattice vibrations govern the thermal dynamics in materials and present how the atoms interact and how they conduct heat. An indepth understanding of the microscopic mechanism of phonon anharmonicity in condensed systems is…

Materials Science · Physics 2021-12-30 Bin Wei , Qiyang Sun , Chen Li , Jiawang Hong

A theoretical study is presented on the scattering of graphene surface plasmons by defects in the graphene sheet they propagate in. These defects can be either natural (as domain boundaries, ripples and cracks, among others) or induced by…

Mesoscale and Nanoscale Physics · Physics 2013-05-31 Juan L. Garcia-Pomar , Alexey Yu. Nikitin , Luis Martin-Moreno

Scattering of electromagnetic fields by a defect layer embedded in a slow-light periodically layered ambient medium exhibits phenomena markedly different from typical scattering problems. In a slow-light periodic medium, constructed by…

Mathematical Physics · Physics 2016-01-19 Stephen P. Shipman , Aaron T. Welters

Zone-center optical phonon linewidth is a key parameter for infrared and Raman spectra as well as the Lorenz oscillator model. While three-phonon scattering was often assumed to be the leading contribution, in this work we find,…

Materials Science · Physics 2020-04-15 Xiaolong Yang , Tianli Feng , Joon Sang Kang , Yongjie Hu , Ju Li , Xiulin Ruan

A nonrelativistic scalar particle that is constrained to move on an asymptotically flat curved surface undergoes a geometric scattering that is sensitive to the mean and Gaussian curvatures of the surface. A careful study of possible…

Quantum Physics · Physics 2019-10-17 Hai Viet Bui , Ali Mostafazadeh

We measured the thermal conductivity of an icosahedral quasicrystal i-Al_{72}Pd_{19.5}Mn_{8.5} in the temperature range between 0.4 K and 300 K. The analysis of the low-temperature results was based on a Debye-type model. The results of the…

Condensed Matter · Physics 2012-09-24 A. Bilusic , A. Smontara , J. Dolinsek , H. R. Ott , I. R. Fisher , P. C. Canfield

We present a numerical approach to the solution of elastic phonon scattering problems based on a frequency domain decomposition of the atomistic equations of motion and the use of perfectly matched layer or PML boundaries. Unlike MD…

Mesoscale and Nanoscale Physics · Physics 2017-01-27 Rohit R. Kakodkar , Joseph P. Feser

Defects are ubiquitous in solids and strongly influence materials' mechanical and functional properties. However, non-destructive characterization and quantification of defects, especially when multiple types coexist, remain a long-standing…

Methods to increase the light scattered from small particles can help improve the sensitivity of many sensing techniques. Here, we investigate the role multiple scattering plays in perturbing the scattered signal when a particle is added to…

Optics · Physics 2021-08-03 Joel Berk , Matthew R. Foreman

The effects of thermal diffuse scattering on the transmission and eventual diffraction of highly accelerated electrons are investigated with a method that incorporates the frozen phonon approximation to the exact numerical solution of the…

Computational Physics · Physics 2018-01-22 S. Rudinsky , A. S. Sanz , R. Gauvin

While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…

Materials Science · Physics 2015-10-20 Tian Lan

Inelastic scattering experiments are key methods for mapping the full dispersion of fundamental excitations of solids in the ground as well as non-equilibrium states. A quantitative analysis of inelastic scattering in terms of phonon…

The ability to design the scattering properties of electromagnetic structures is of fundamental interest in optical science and engineering. While there has been great practical success applying local optimization methods to electromagnetic…

First-principles prediction of thermal conductivity and radiative properties is crucial. However, computing phonon scattering, especially for four-phonon scattering, could be prohibitively expensive, and the thermal conductivity even for…

Materials Science · Physics 2023-11-23 Ziqi Guo , Zherui Han , Dudong Feng , Guang Lin , Xiulin Ruan