Tuning the thermoelectric efficiency of a material is a complicated task as it requires the control of interrelated parameters. In this respect, various methods have been suggested to enhance the figure of merit (ZT), including the utilization of low-dimensional systems. Motivated by the effect of strain on intrinsic properties of two-dimensional materials, we examine the thermoelectric response of monolayer indium nitride (h-InN) under low biaxial strain ($\pm 1$%) by using ab initio methods together with solving Boltzmann transport equations for electrons and phonons. Our results indicate that among the critical parameters, while the Seebeck coefficient is not affected prominently, electrical conductivity can increase up to three times, and lattice thermal conductivity can decrease to half at $-$1% strain where valence band convergence is achieved. This results in significant enhancement of ZT, especially for p-type h-InN, and it reaches 0.50 with achievable carrier concentrations ($\sim {10}^{13}$ cm${}^{-2}$) at room temperature. Thermoelectric efficiency further increases with elevated temperatures and rises up to 1.32 at 700 K, where the system remains to be dynamically stable, suggesting h-InN as a promising material for high-temperature thermoelectric applications.

中文翻译：

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通过机械应变调节单层氮化铟的热电效率

调整材料的热电效率是一项复杂的任务，因为它需要控制相关参数。在这方面，已经提出了各种方法来提高品质因数 (ZT)，包括利用低维系统。受应变对二维材料本征特性的影响，我们研究了单层氮化铟 (h-InN) 在低双轴应变下的热电响应（$\pm 1$%) 通过使用ab initio方法以及求解电子和声子的 Boltzmann 传输方程。我们的结果表明，在关键参数中，虽然塞贝克系数没有受到显着影响，但电导率可以增加三倍，晶格热导率可以减少一半$-$实现价带收敛的 1% 应变。这导致 ZT 显着增强，特别是对于 p 型 h-InN，并且在可达到的载流子浓度下达到 0.50（$～{10}^{13}$ 厘米${}^{-2}$） 在室温下。热电效率随着温度的升高而进一步增加，并在 700 K 时上升至 1.32，此时系统仍保持动态稳定，表明 h-InN 是一种用于高温热电应用的有前途的材料。