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Conventional approaches for modulating thermal conductivity usually rely on structural modifications and therefore cannot achieve reversible in situ regulation. Targeted phonon excitation has recently emerged as a promising strategy for…

材料科学 · 物理学 2026-05-13 Tianhao Li , Yangjun Qin , Dongkai Pan , Shixian Liu , Han Meng , Nuo Yang

Recent studies reveal that four-phonon scattering is generally important in determining thermal conductivities of solids. However, these studies have been focused on materials where thermal conductivity $\kappa$ is dominated by acoustic…

材料科学 · 物理学 2019-12-18 Xiaolong Yang , Tianli Feng , Ju Li , Xiulin Ruan

We systematically demonstrate the temperature-dependent thermal transport properties in crystalline Ge$_2$Sb$_2$Te$_5$via first-principles density functional theory-informed linearized Boltzmann transport equation. The investigation,…

材料科学 · 物理学 2023-12-18 Kanka Ghosh , Andrzej Kusiak , Jean-Luc Battaglia

Monolayer hexagonal boron nitride is a prototypical planar 2-dimensional system material and has been the subject of many investigations of its exceptional vibrational, spectroscopic and transport properties. The lattice thermal…

To explore the thermal and thermoelectric potential of 2D materials, we study the h-NbN monolayer, which lacks mirror symmetry and features a large acoustic-optical phonon gap and quadratic flexural mode. First-principles calculations and…

材料科学 · 物理学 2025-11-17 Himanshu Murari , Subhradip Ghosh , Mukul Kabir , Ashis Kundu

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)…

材料科学 · 物理学 2025-03-25 H. F. Feng , B. Liu , Xin-Gao Gong , Zhi-Xin Guo

Suppressed three-phonon scattering processes have been considered to be the direct cause of materials exhibiting significant higher-order four-phonon interactions. However, after calculating the phonon-phonon interactions of 128…

材料科学 · 物理学 2024-09-26 Yu Wu , Shengnan Dai , Linxuan Ji , Yimin Ding , Jiong Yang , Liujiang Zhou

Recently, first principle-based prediction of lattice thermal conductivity $\kappa$ from the perturbation theory has achieved significant success. However, it only includes three-phonon scattering due to the assumption that four-phonon and…

介观与纳米尺度物理 · 物理学 2016-01-20 Tianli Feng , Xiulin Ruan

Cubic boron arsenide (BAs) is a promising semiconductor for next-generation electronics due to its outstanding ambipolar mobility and thermal conductivity, the latter of which is attributed to the suppression of three-phonon scattering.…

The thermal conductivity of boron arsenide (BAs) is believed to be influenced by phonon scattering selection rules due to its special phonon dispersion. Compression of BAs leads to significant changes in phonon dispersion, which allows for…

材料科学 · 物理学 2023-02-20 Songrui Hou , Bo Sun , Fei Tian , Qingan Cai , Shanming Wang , Wanyue Peng , Xi Chen , Zhifeng Ren , Chen Li , Richard Wilson

Understanding the mechanisms of thermal conduction in graphene is a long-lasting research topic, due to its high thermal conductivity. Peierls-Boltzmann transport equation (PBTE) based studies have revealed many unique phonon transport…

材料科学 · 物理学 2019-08-14 Xiaokun Gu , Zheyong Fan , Hua Bao , C. Y. Zhao

Two-dimensional gallium nitride (2D-GaN) has great potential in power electronics and optoelectronics. Heat dissipation is a critical issue for these applications of 2D-GaN. Previous studies showed that higher-order phonon-phonon scattering…

材料科学 · 物理学 2024-03-12 Jianshi Sun , Xiangjun Liu , Yucheng Xiong , Yuhang Yao , Xiaolong Yang , Cheng Shao , Shouhang Li

Detailed understanding of vibrational heat transfer mechanisms between solids is essential for the efficient thermal engineering and control of nanomaterials. We investigate the frequency dependence of anharmonic scattering and interfacial…

材料科学 · 物理学 2014-10-31 K. Sääskilahti , J. Oksanen , J. Tulkki , S. Volz

We present an \emph{ab-initio} study that identifies the main electron-phonon scattering channels in $n$-type PbTe. We develop an electronic transport model based on the Boltzmann transport equation within the transport relaxation time…

介观与纳米尺度物理 · 物理学 2018-11-14 Jiang Cao , Jose D. Querales-Flores , Aoife R. Murphy , Stephen Fahy , Ivana Savić

In the calculations of lattice thermal conductivity ($\kappa_{\text{L}}$), vital contributions stemming from four-phonon scattering are often neglected. The significance of four-phonon scattering in the thermal transport properties of…

材料科学 · 物理学 2023-12-14 Saumen Chaudhuri , Amrita Bhattacharya , A. K. Das , G. P. Das , B. N. Dev

We study the intrinsic scattering of phonons by a general quantum degree of freedom, i.e. a fluctuating "field" $Q$, which may have completely general correlations, restricted only by unitarity and translational invariance. From the induced…

强关联电子 · 物理学 2023-01-04 Léo Mangeolle , Leon Balents , Lucile Savary

One of the key requirements for good thermoelectric materials is a low lattice thermal conductivity. Here we present a combined neutron scattering and theoretical investigation of the lattice dynamics in the type I clathrate system…

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,…

材料科学 · 物理学 2020-04-15 Xiaolong Yang , Tianli Feng , Joon Sang Kang , Yongjie Hu , Ju Li , Xiulin Ruan

The semiconductor BAs has drawn significant interest due to experimental reports of simultaneous high thermal conductivity and ambipolar charge mobility. The \textit{ab~initio} prediction of high electron and hole mobility assumed the…

材料科学 · 物理学 2023-05-09 Iretomiwa Esho , Austin J. Minnich

Boundary scattering in hierarchically disordered nanomaterials is an effective way to reduce the thermal conductivity of thermoelectric materials and increase their performance. In this work we investigate thermal transport in silicon based…

材料科学 · 物理学 2019-02-27 Dhritiman Chakraborty , Laura de Sousa Oliveira , Neophytos Neophytou
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