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Fundamental understanding of thermal transport in compounds with ultra-low thermal conductivity remains challenging, primarily due to the limitations of conventional lattice dynamics and heat transport models. In this study, we investigate…

材料科学 · 物理学 2023-11-13 Jiongzhi Zheng , Changpeng Lin , Chongjia Lin , Baoling Huang , Ruiqiang Guo , Geoffroy Hautier

Understanding heat conduction in defective silicon is crucial for electronics and thermoelectrics. Conventional understanding relies on phonon gas picture, treating defects as scattering centers that reduce phonon lifetimes without altering…

材料科学 · 物理学 2025-06-04 Xueyan Zhu , Jin Yang , J. Shiomi , Cheng Shao

Thermoelectric materials convert heat into electricity through thermally driven charge transport in solids, or vice versa for cooling. To be competitive with conventional energy-generation technologies, a thermoelectric material must…

Excitations and scatterings among the quantized lattice vibrations, i.e., phonons, govern the lattice thermal conductivity ($\kappa_l$) in crystalline solids. Therefore, effective modulation of $\kappa_l$ can be achieved through selective…

材料科学 · 物理学 2025-07-09 Jyoti Duhan , Chris Wolverton , Koushik Pal

We present a detailed description of semi-quantum molecular dynamics simulation of stochastic dynamics of a system of interacting particles. Within this approach, the dynamics of the system is described with the use of classical Newtonian…

计算物理 · 物理学 2015-06-03 Alexander V. Savin , Yuriy A. Kosevich , Andres Cantarero

Understanding microscopic heat conduction in thin films is important for nano/micro heat transfer and thermal management for advanced electronics. As the thickness of thin films is comparable to or shorter than a phonon wavelength, phonon…

材料科学 · 物理学 2021-05-19 Michimasa Morita , Takuma Shiga

Coherent twin boundaries form periodic lamellar twinning in a wide variety of semiconductor nanowires, and are often viewed as near-perfect interfaces with reduced phonon and electron scattering behaviors. Such unique characteristics are of…

材料科学 · 物理学 2016-05-25 Aaron Porter , Chan Tran , Frederic Sansoz

Heat transfer in layered metal-dielectric structures is considered theoretically based on an analytical solution of the Boltzmann transfer equation for the phonon distribution function. Taking into account the size effect, the problem of…

材料科学 · 物理学 2023-11-27 A. I. Bezuglyj , I. V. Mironenko , V. A. Shklovskij

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…

介观与纳米尺度物理 · 物理学 2016-02-23 Bo Peng , Hao Zhang , Hezhu Shao , Yuchen Xu , Xiangchao Zhang , Heyuan Zhu

The world communicates to our senses of vision, hearing and touch in the language of waves, as the light, sound, and even heat essentially consist of microscopic vibrations of different media. The wave nature of light and sound has been…

介观与纳米尺度物理 · 物理学 2018-02-06 Jeremie Maire , Roman Anufriev , Ryoto Yanagisawa , Aymeric Ramiere , Sebastian Volz , Masahiro Nomura

We determine the size effect on the lattice thermal conductivity of nanoscale wire and multilayer structures formed in and by some typical semiconductor materials, using the Boltzmann transport equation and focusing on the Knudsen flow…

材料科学 · 物理学 2009-11-11 Eleni Ziambaras , Per Hyldgaard

Utilizing atomistic lattice dynamics and scattering theory, we study thermal transport in nanodevices made of 10 nm thick silicon nanowires, from 10 to 100 nm long, sandwiched between two bulk reservoirs. We find that thermal transport in…

材料科学 · 物理学 2013-05-08 Ivan Duchemin , Davide Donadio

Electronic and thermal transport properties in two-dimensional (2D) semiconductors have been extensively investigated due to their potential to miniaturize transistors. Microscopically, electron-phonon interactions are considered the…

介观与纳米尺度物理 · 物理学 2024-11-25 Yujie Quan , Bolin Liao

The "textbook" phonon mean free path (MFP) of heat carrying phonons in silicon at room temperature is ~40 nm. However, a large contribution to the thermal conductivity comes from low-frequency phonons with much longer MFPs. We present a…

The transport properties of hot holes in silicon at cryogenic temperatures exhibit several anomalous features, including the emergence of two distinct saturated drift velocity regimes and a non-monotonic trend of the current noise versus…

材料科学 · 物理学 2023-06-28 David S. Catherall , Austin J. Minnich

In a typical semiconductor material, the majority of heat is carried by long wavelength, long mean-free-path phonons. Nanostructuring strategies to reduce thermal conductivity, a promising direction in the field of thermoelectrics, place…

介观与纳米尺度物理 · 物理学 2024-05-08 Alex Greaney , S. Aria Hosseini , Laura de Sousa Oliveira , Alathea Davies , Neophytos Neophytou

We examine coherent phonons in a strongly driven sample of optimally-doped high temperature superconductor YBa$_2$Cu$_3$O$_{7-\delta}$. We observe a non-linear lattice response of the 4.5\,THz copper-oxygen vibrational mode at high…

Although extensive experimental and theoretical works have been conducted to understand the ballistic and diffusive phonon transport in nanomaterials recently, direct observation of temperature and thermal nonequilibrium of different phonon…

介观与纳米尺度物理 · 物理学 2017-05-17 Tianli Feng , Wenjun Yao , Zuyuan Wang , Jingjing Shi , Chuang Li , Bingyang Cao , Xiulin Ruan

In this study, we have used atomistic phonon wave-packet simulations to investigate the manifestation of coherent phonons and phonon transmission in gradient superlattices (SL) based on ordered arrangements of varied SL period sizes. We…

材料科学 · 物理学 2026-03-17 Evan Wallace Doe , Theodore Maranets , Yan Wang

We study the impact of phonon anharmonicity on the electronic dynamics of soft materials using a nonperturbative quantum-classical approach. The method is applied to a one-dimensional model of doped organic semiconductors with low-frequency…

材料科学 · 物理学 2025-09-24 Jonathan H. Fetherolf , Petra Shih , Timothy C. Berkelbach