First-principles Study on the Lattice Thermal Conductivity of Janus In2Ge2Te6 Bilayer

IF 0.9 4区 物理与天体物理 Q4 PHYSICS, CONDENSED MATTER
Wei Ding, Songwen Tian, Yankun Shen, Shijie Yang, Jingze Wang, Ziyang Yuan, Zheng Zhai
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引用次数: 0

Abstract

Janus In2Ge2Te6 bilayer exhibit the potential for low thermal conductivity due to their complex geometry and large atomic mass contrast. The results demonstrate that the intersection of the low-frequency optical branch and the longitudinal acoustic phonon branch (LA) within the Janus In2Ge2Te6 bilayer structure, combined with a larger average atomic mass, leads to a smaller phonon group velocity, a higher phonon scattering rate, a lower phonon relaxation time, and a stronger anharmonicity. These factors contribute to the lower thermal conductivity of the Janus In2Ge2Te6 bilayer. The Janus In2Ge2Te6 bilayer structure exhibits a maximum and minimum lattice thermal conductivity of about 0.35 and 0.1 W/(m K) at 300 and 1000 K, respectively.

Abstract Image

Abstract Image

关于 Janus In2Ge2Te6 双电层晶格导热性的第一原理研究
摘要Janus In2Ge2Te6双层结构因其复杂的几何形状和较大的原子质量对比而具有低热导率的潜力。研究结果表明,在 Janus In2Ge2Te6 双层结构中,低频光学支和纵向声子支(LA)的交叉,再加上较大的平均原子质量,导致声子群速度较小、声子散射率较高、声子弛豫时间较短以及非谐波性较强。这些因素导致了 Janus In2Ge2Te6 双电层较低的热导率。Janus In2Ge2Te6 双层结构在 300 K 和 1000 K 时的最大和最小晶格热导率分别约为 0.35 W/(m K)和 0.1 W/(m K)。
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来源期刊
Physics of the Solid State
Physics of the Solid State 物理-物理:凝聚态物理
CiteScore
1.70
自引率
0.00%
发文量
60
审稿时长
2-4 weeks
期刊介绍: Presents the latest results from Russia’s leading researchers in condensed matter physics at the Russian Academy of Sciences and other prestigious institutions. Covers all areas of solid state physics including solid state optics, solid state acoustics, electronic and vibrational spectra, phase transitions, ferroelectricity, magnetism, and superconductivity. Also presents review papers on the most important problems in solid state physics.
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