Strain-induced thermal switches with a high switching ratio in monolayer boron sulfide

IF 3.5 2区物理与天体物理 Q2 PHYSICS, APPLIED

Applied Physics Letters Pub Date : 2025-01-15 DOI:10.1063/5.0241220

Zhifu Duan, Zhongke Ding, Fang Xie, Jiang Zeng, Liming Tang, Nannan Luo, Keqiu Chen

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引用次数: 0

Abstract

Manipulating the thermal conductivity of materials and achieving a high thermal switching ratio is very important in fields such as thermal management and energy conversion. In this study, by utilizing first-principles calculations and semi-classical Boltzmann transport theory, we find the lattice thermal conductivity (κl) of monolayer boron sulfide (BS) can reach values as low as 0.11 Wm−1 K−1 at room temperature, significantly lower than that of well-known two-dimensional materials with low thermal conductivity such as SnSe. This phenomenon is mainly caused by the strong lattice anharmonicity, which is primarily induced by the lone electron pairs. The effect of biaxial strain on κl is further investigated. It is found that a small strain of 2% can lead to a two orders of magnitude increase in κl. Moreover, this property remains stable within the strain range of 2%–7%, making it easier to achieve experimentally. The variation of κl with strain is mainly determined by the change in phonon lifetime, which is governed by the competition between the reduction of anti-bonding valence band states and the enhanced coupling between soft optical and acoustic phonons. Our results indicate that monolayer BS is a promising candidate material for thermal switches and energy conversion devices.

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单层硫化硼中具有高开关比的应变诱导热开关

在热管理和能量转换等领域，控制材料的热导率，实现高热开关比是非常重要的。本研究利用第一性原理计算和半经典玻尔兹曼输运理论，发现单层硫化硼（BS）的晶格热导率（κl）在室温下可低至0.11 Wm−1 K−1，显著低于众所周知的二维低热导率材料，如SnSe。这种现象主要是由晶格的强非调和性引起的，而非调和性主要是由孤电子对引起的。进一步研究了双轴应变对κl的影响。结果表明，2%的小应变可使κl提高2个数量级。而且，该性能在2% ~ 7%的应变范围内保持稳定，使实验更容易实现。κl随应变的变化主要是由声子寿命的变化决定的，而声子寿命的变化是由反键价带态的减少和软光学声子与软声子之间的增强耦合之间的竞争所决定的。我们的研究结果表明，单层BS是一种很有前途的热开关和能量转换器件的候选材料。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Applied Physics Letters 物理-物理：应用

CiteScore

6.40

自引率

10.00%

发文量

1821

审稿时长

1.6 months

期刊介绍： Applied Physics Letters (APL) features concise, up-to-date reports on significant new findings in applied physics. Emphasizing rapid dissemination of key data and new physical insights, APL offers prompt publication of new experimental and theoretical papers reporting applications of physics phenomena to all branches of science, engineering, and modern technology. In addition to regular articles, the journal also publishes invited Fast Track, Perspectives, and in-depth Editorials which report on cutting-edge areas in applied physics. APL Perspectives are forward-looking invited letters which highlight recent developments or discoveries. Emphasis is placed on very recent developments, potentially disruptive technologies, open questions and possible solutions. They also include a mini-roadmap detailing where the community should direct efforts in order for the phenomena to be viable for application and the challenges associated with meeting that performance threshold. Perspectives are characterized by personal viewpoints and opinions of recognized experts in the field. Fast Track articles are invited original research articles that report results that are particularly novel and important or provide a significant advancement in an emerging field. Because of the urgency and scientific importance of the work, the peer review process is accelerated. If, during the review process, it becomes apparent that the paper does not meet the Fast Track criterion, it is returned to a normal track.