Zhang Chenxin, Sun Jie, Shen Yiheng, Zhang Cunzhi, Wang Qian, Yoshikawa Akira, Kawazoe Yoshiyuki, Jena Puru
School of Materials Science and Engineering, CAPT, BKL-MEMD, Peking University, Beijing, 100871, China.
Institute of Engineering Innovation, School of Engineering, The University of Tokyo, Bunkyo-ku, Tokyo, 113-0032, Japan.
Small. 2023 Nov;19(48):e2303295. doi: 10.1002/smll.202303295. Epub 2023 Jul 31.
Twisting has recently been demonstrated as an effective strategy for tuning the interactions between particles or quasi-particles in layered materials. Motivated by the recent experimental synthesis of pentagonal NiN sheet [ACS Nano 2021, 15, 13539], for the first time, the response of phonon coherence to twisting in bilayer penta-NiN , going beyond the particle-like phonon transport is studied. By using the unified theory of phonon transport and high order lattice anharmonicity, together with the self-consistent phonon theory, it is found that the lattice thermal conductivity is reduced by 80.6% from 33.35 to 6.47 W m K at 300 K when the layers are twisted. In particular, the contribution of phonon coherence is increased sharply by an order of magnitude, from 0.21 to 2.40 W m K , due to the reduced differences between the phonon frequencies and enhanced anharmonicity after the introduction of twist. The work provides a fundamental understanding of the phonon interaction in twisted pentagonal sheets.
扭转最近被证明是一种调节层状材料中粒子或准粒子之间相互作用的有效策略。受最近五边形NiN薄片实验合成[《美国化学会纳米》2021年，第15卷，第13539页]的启发，首次研究了双层五边形NiN中声子相干对扭转的响应，超越了类粒子声子输运。通过使用声子输运和高阶晶格非谐性的统一理论，以及自洽声子理论，发现当层发生扭转时，在300K下晶格热导率从33.35W·m⁻¹·K⁻¹降低到6.47W·m⁻¹·K⁻¹，降低了80.6%。特别是，由于引入扭转后声子频率之间的差异减小以及非谐性增强，声子相干的贡献急剧增加了一个数量级，从0.21W·m⁻¹·K⁻¹增加到2.40W·m⁻¹·K⁻¹。这项工作为扭转五边形薄片中的声子相互作用提供了基本的理解。
