Unveiling the impact of four-phonon scattering on thermal transport properties of the bulk β-Ga2O3 and monolayer Ga2O3

IF 2.9 3区 物理与天体物理 Q3 NANOSCIENCE & NANOTECHNOLOGY Physica E-low-dimensional Systems & Nanostructures Pub Date : 2024-09-11 DOI:10.1016/j.physe.2024.116099
Hui Tu , Yuxiong Xue , Rongxing Cao , Yang Liu , Shu Zheng , Hongxia Li , Yuting Guo , Haiyi Sun , Dan Han
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Abstract

In recent years, the role of four-phonon (4ph) scattering in thermal transport properties has been gradually revealed. However, the underlying scattering mechanisms of the bulk β-Ga2O3 and monolayer Ga2O3 remain unclear. Hence, we evaluate the effect of 4ph scattering on the thermal transport properties of the bulk β-Ga2O3 and monolayer Ga2O3 by utilizing first-principles calculations. It has been observed that the Young's modulus and lattice thermal conductivity (κ) of the bulk β-Ga2O3 are anisotropic, while the values of the monolayer Ga2O3 are isotropic. The κ of the bulk β-Ga2O3 along the three directions ([100], [010], and [001]) and monolayer Ga2O3 after adding 4ph scattering are decreased by 9.23%, 11.52%, 13.89%, and 29.24% at 300 K, respectively. Moreover, the effect of four-phonon scattering is more pronounced at the high temperature. Afterwards, based on the phonon behaviors, we can prove that the addition of 4ph scattering can increase the phonon scattering rate, decrease the phonon mean free path, and increase the phase space, which results in lower thermal conductivity. The findings can contribute to a better understanding of high-order phonon scattering mechanisms of the Ga2O3 materials.

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揭示四声子散射对块状 β-Ga2O3 和单层 Ga2O3 热传输特性的影响
近年来,四声子(4ph)散射在热传输特性中的作用逐渐被揭示出来。然而,体β-Ga2O3和单层Ga2O3的基本散射机制仍不清楚。因此,我们利用第一原理计算评估了 4ph 散射对块状 β-Ga2O3 和单层 Ga2O3 热传输特性的影响。结果表明,体β-Ga2O3 的杨氏模量和晶格热导率(κ)是各向异性的,而单层 Ga2O3 的值是各向同性的。加入四相散射后,在 300 K 时,沿三个方向([100]、[010]和[001])的体β-Ga2O3 和单层 Ga2O3 的 κ 分别降低了 9.23%、11.52%、13.89% 和 29.24%。而且,高温时四声子散射的影响更为明显。之后,根据声子行为,我们可以证明加入四声子散射可以提高声子散射率,降低声子平均自由路径,增大相空间,从而降低热导率。这些发现有助于更好地理解 Ga2O3 材料的高阶声子散射机制。
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来源期刊
CiteScore
7.30
自引率
6.10%
发文量
356
审稿时长
65 days
期刊介绍: Physica E: Low-dimensional systems and nanostructures contains papers and invited review articles on the fundamental and applied aspects of physics in low-dimensional electron systems, in semiconductor heterostructures, oxide interfaces, quantum wells and superlattices, quantum wires and dots, novel quantum states of matter such as topological insulators, and Weyl semimetals. Both theoretical and experimental contributions are invited. Topics suitable for publication in this journal include spin related phenomena, optical and transport properties, many-body effects, integer and fractional quantum Hall effects, quantum spin Hall effect, single electron effects and devices, Majorana fermions, and other novel phenomena. Keywords: • topological insulators/superconductors, majorana fermions, Wyel semimetals; • quantum and neuromorphic computing/quantum information physics and devices based on low dimensional systems; • layered superconductivity, low dimensional systems with superconducting proximity effect; • 2D materials such as transition metal dichalcogenides; • oxide heterostructures including ZnO, SrTiO3 etc; • carbon nanostructures (graphene, carbon nanotubes, diamond NV center, etc.) • quantum wells and superlattices; • quantum Hall effect, quantum spin Hall effect, quantum anomalous Hall effect; • optical- and phonons-related phenomena; • magnetic-semiconductor structures; • charge/spin-, magnon-, skyrmion-, Cooper pair- and majorana fermion- transport and tunneling; • ultra-fast nonlinear optical phenomena; • novel devices and applications (such as high performance sensor, solar cell, etc); • novel growth and fabrication techniques for nanostructures
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