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Understanding lattice dynamics and thermal transport in crystalline compounds with intrinsically low lattice thermal conductivity ($\kappa_L$) is crucial in condensed matter physics. In this work, we investigate the lattice thermal…

Materials Science · Physics 2025-02-26 Jincheng Yue , Yanhui Liu , Jiongzhi Zheng

Phonons are essential for understanding the thermal properties in monolayer transition metal dichalcogenides, which limit their thermal performance for potential applications. We investigate the lattice dynamics and thermodynamic properties…

Mesoscale and Nanoscale Physics · Physics 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu

The lattice thermal conductivity (LTC) of ZrSe$_2$, a typical layered transition metal disulfide, has been calculated using a hybrid approach that combines force field molecular dynamics (MD) simulation and Boltzmann transport equation…

Materials Science · Physics 2025-09-10 Yong Lu , Fawei Zheng

The breakdown of Hooke's law marks the onset of nonlinear behaviour: when displacements become large, restoring forces weaken and conventional proportionality fails. In quantum materials, intense optical excitation can drive the crystal…

The intrinsic lattice thermal conductivity of MoS$_2$ is an important aspect in the design of MoS$_2$-based nanoelectronic devices. We investigate the lattice dynamics properties of MoS$_2$ by first principles calculations. The intrinsic…

Materials Science · Physics 2016-06-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuanfeng Xu , Xiangchao Zhang , Heyuan Zhu

Tailoring thermal properties with nanostructured materials can be of vital importance for many applications. Generally classical phonon size effects are employed to reduce the thermal conductivity, where strong phonon scattering by…

Applied Physics · Physics 2019-10-14 Yue Xiao , Qiyu Chen , Dengke Ma , Nuo Yang , Qing Hao

A resonantly excited coherent phonon leads to a periodic oscillation of the atomic lattice in a crystal structure bringing the material into a non-equilibrium electronic configuration. Periodically oscillating quantum systems can be…

Materials Science · Physics 2018-01-31 Hannes Hübener , Umberto De Giovannini , Angel Rubio

Entropy transfer in metal halide perovskites, characterized by significant lattice anharmonicity and low stiffness, underlies the remarkable properties observed in their optoelectronic applications, ranging from solar cells to lasers. The…

Materials Science · Physics 2024-07-01 Z. Liu , Y. Shi , T. Jiang , L. Luo , C. Huang , M. Mootz , Z. Song , Y. Yan , Y. Yao , J. Zhao , J. Wang

Based on the operatorial formulation of the perturbation theory, the exciton-phonon problem is revisited for investigating exciton-mediated energy flow in a finite-size lattice. Within this method, the exciton-phonon entanglement is taken…

Chemical Physics · Physics 2015-06-12 Vincent J. C. Pouthier

Short-range order in strongly disordered structures plays an important role in their heat conduction property. Using numerical and analytical methods, we show that short-range spatial correlation (with a correlation length of $\Lambda_{m}$)…

Mesoscale and Nanoscale Physics · Physics 2014-12-11 Zhun-Yong Ong , Gang Zhang

Phonon modes within pristine crystalline resonators now routinely reach the quantum ground state. Such systems are attractive for quantum information science applications, as advanced fabrication and processing can enable relatively long…

Mesoscale and Nanoscale Physics · Physics 2026-02-26 Ryan O. Behunin , Taylor Ray , Dylan Chapman , Andrew J. Shepherd , Yizhi Luo , Peter T. Rakich

In solids, the response of the lattice to photo-excitation is often described by the inertial evolution on an impulsively modified potential energy surface which leads to coherent motion. However, it remains unknown if vibrational coherence…

Strongly Correlated Electrons · Physics 2022-12-14 A. S. Johnson , D. Moreno-Mencía , E. B. Amuah , M. Menghini , J. -P. Locquet , C. Giannetti , E. Pastor , S. E. Wall

To elucidate the relationship between a crystal's structure, its thermal conductivity, and its phonon dispersion characteristics, an analysis is conducted on layered diatomic Lennard-Jones crystals with various mass ratios. Lattice dynamics…

Materials Science · Physics 2007-05-23 A. J. H. McGaughey , M. I. Hussein , E. S. Landry , M. Kaviany , G. M. Hulbert

The self-consistent propagation of generalized $D_{1}$ [coherent-product] states and of a class of gaussian density matrix generalizations is examined, at both zero and finite-temperature, for arbitrary interactions between the localized…

Quantum Physics · Physics 2009-11-07 S. Gheorghiu-Svirschevski

Thermal transport by phonons in films with thicknesses of less than 10 nm is investigated in a soft system (Lennard-Jones argon) and a stiff system (Tersoff silicon) using two-dimensional lattice dynamics calculations and the Boltzmann…

Mesoscale and Nanoscale Physics · Physics 2020-01-22 Bo Fu , Kevin D. Parrish , Hyun-Young Kim , Guihua Tang , Alan J. H. McGaughey

We present a detailed study of the dynamics of electronic wavepackets in Fibonacci semiconductor superlattices, both in flat band conditions and subject to homogeneous electric fields perpendicular to the layers. Coherent propagation of…

Mesoscale and Nanoscale Physics · Physics 2009-10-28 Enrique Diez , Francisco Dominguez-Adame , Enrique Macia , Angel Sanchez

The phonon contribution to the thermal conductivity at low temperature in superconductors with line nodes is calculated assuming that scattering by both nodal quasiparticles and the sample boundaries is significant. It is determined that,…

Superconductivity · Physics 2007-05-23 M. F. Smith

Structuring materials is one mechanism to influence the thermal conductivity and thus thermoelectric efficiency. In order to investigate the scattering of phonons in multilayer structures we developed a beam matching technique, which is…

Mesoscale and Nanoscale Physics · Physics 2015-12-08 Debanjan Basu , Peter Blöchl

We report on evaluation of lattice thermal conductivity of GeTe/Sb$_{2}$Te$_{3}$ superlattice (SL) by using femtosecond coherent phonon spectroscopy at various lattice temperatures. The time-resolved transient reflectivity obtained in…

Materials Science · Physics 2011-07-21 Muneaki Hase , Junji Tominaga

A new approach based on macro-orbital representation of a conduction electron in a solid has been used to discover some untouched aspects of the phonon induced attraction between two electrons and to lay the basic foundations of a general…

Superconductivity · Physics 2007-05-23 Yatendra S. Jain
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