Crystal symmetry based selection rules for anharmonic phonon-phonon scattering from a group theory formalism
Crystal symmetry based selection rules for anharmonic phonon-phonon scattering from a group theory formalism
复制标题
DOI：
10.1103/physrevb.103.184302
复制
发表时间：
2021-03
影响因子：
3.7
通讯作者：
Runqing Yang;Shengying Yue;Y. Quan;Bolin Liao
中科院分区：
文献类型：
--
作者：
Runqing Yang;Shengying Yue;Y. Quan;Bolin Liao
非谐声子-声子散射在固体热传导中起着关键作用。以前的研究已经确定了许多可能的声子-声子散射通道的声子能量和动量守恒条件和晶体对称性的选择规则。然而，基于晶体对称性的选择规则到目前为止在选定的材料中大多是特设的，并且仍然缺乏一种可以总结已知选择规则并在任何给定晶体中导出新规则的一般形式。在这项工作中，我们应用了一个一般的形式化的基于群论的散射选择规则的基础上的非谐声子-声子散射，它可以重现已知的选择规则，并指导发现新的选择规则之间的声子分支所施加的晶体对称性。我们应用这种形式主义来分析声子-声子散射的选择规则所施加的石墨烯的面内对称性，并展示了显着的影响，晶格热导率的破缺应变。我们的工作量化了晶体对称性对固体晶格热导率的关键影响，并提出了通过调整晶体对称性来设计热传导的路线。
Anharmonic phonon-phonon scattering serves a critical role in heat conduction in solids. Previous studies have identified many selection rules for possible phonon-phonon scattering channels imposed by phonon energy and momentum conservation conditions and crystal symmetry. However, the crystal-symmetry-based selection rules have mostly been ad hoc so far in selected materials, and a general formalism that can summarize known selection rules and lead to new ones in any given crystal is still lacking. In this work, we apply a general formalism for symmetry-based scattering selection rules based on the group theory to anharmonic phonon-phonon scatterings, which can reproduce known selection rules and guide the discovery of new selection rules between phonon branches imposed by the crystal symmetry. We apply this formalism to analyze the phonon-phonon scattering selection rules imposed by the in-plane symmetry of graphene, and demonstrate the significant impact of symmetry-breaking strain on the lattice thermal conductivity. Our work quantifies the critical influence of the crystal symmetry on the lattice thermal conductivity in solids and suggests routes to engineer heat conduction by tuning the crystal symmetry.