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首页> 外文期刊>Journal of Physics, D. Applied Physics: A Europhysics Journal >Biaxial tensile strain tuned up-and-down behavior on lattice thermal conductivity in beta-AsP monolayer
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Biaxial tensile strain tuned up-and-down behavior on lattice thermal conductivity in beta-AsP monolayer

机译：双轴拉伸应变在β-架构单层中的晶格导热系数上调上下行为

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摘要

Various two-dimensional (2D) materials with a graphene-like buckled structure have emerged, and the beta-phase AsP monolayer has been recently proposed to be thermodynamically stable from first-principles calculations. The studies of thermal transport are very useful for these 2D materials-based nano-electronics devices. Motivated by this, a comparative study of strain-dependent phonon transport of AsP monolayers is performed by solving the linearized phonon Boltzmann equation within the single-mode relaxation time approximation (RTA). It is found that the lattice thermal conductivity (kappa(L)) of the AsP monolayer is very close to the one of As monolayer with a similar buckled structure, which is due to neutralization between the reduction of phonon lifetimes and group velocity enhancement from As to AsP monolayer. The corresponding room-temperature sheet thermal conductance of AsP monolayer is 152.5 W K-1. It is noted that the increasing tensile strain can harden a long wavelength out-of-plane (ZA) acoustic mode, and soften the in-plane longitudinal acoustic (LA) and transversal acoustic (TA) modes. Calculated results show that (kappa(L)) of AsP monolayer presents a nonmonotonic up-and-down behavior with increased strain. The unusual strain dependence is due to the competition among the reduction of phonon group velocities, improved phonon lifetimes of ZA mode and nonmonotonic up-and-down phonon lifetimes of TA/LA mode. It is found that acoustic branches dominate the kappa(L) in the considered strain range, and the contribution from ZA branch increases with increased strain, while it is opposite for TA/LA branch. By analyzing cumulative kappa(L) with respect to phonon mean free path, tensile strain can modulate effectively the size effects on kappa(L) in the AsP monolayer. Our work enriches the studies of thermal transports of 2D materials with graphene-like buckled structures, and strengthens the idea to engineer thermal transport properties by simple mechanical
机译：出现了具有石墨烯样弯曲结构的各种二维（2D）材料，并且最近已经提出了从第一原理计算的热力学稳定的β相asp单层。热传输的研究对于基于2D基于材料的纳米电子器件非常有用。由此，通过在单模松弛时间近似（RTA）内求解线性化声子化螺栓玻璃型方程来执行ASP Monolayers的应变依赖性声子传输的比较研究。发现晶格导热率（拟晶片导热率（Kappa（L））非常接近于与类似弯曲结构的单层单层之一，这是由于从函物寿命的减少和群体速度增强之间的中和asp monolayer。 Asp Monolayer的相应室温片热敏是152.5Wk-1。应注意，增加的拉伸应变可以硬化长波长外平面（ZA）声模式，并软化面内纵向声学（LA）和横向声学（TA）模式。计算结果表明，ASP单层的Kappa（L））具有增加的菌株的非单调上下行为。不寻常的应变依赖性是由于竞争的声子群速度，改善了ZA模式的静脉位寿命和TA / LA模式的非单调上下旋转声子寿命。发现声学分支在考虑的应变范围内占据κ（1），并且ZA分支的贡献随着菌株的增加而增加，而TA / LA分支相反。通过分析累积κ（L）相对于声子均值的可自由路径，拉伸应变可以有效地调节ASP单层中Kappa（L）的尺寸效应。我们的工作丰富了第2型材料的热输送与石墨烯样弯曲结构的研究，并通过简单的机械加强了工程师热运输性能的想法

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