当前位置: X-MOL 学术Cell Rep. Phys. Sci. › 论文详情
Our official English website, www.x-mol.net, welcomes your feedback! (Note: you will need to create a separate account there.)
Strain-driven phonon topological phase transition impedes thermal transport in titanium monoxide
Cell Reports Physical Science ( IF 8.9 ) Pub Date : 2024-03-27 , DOI: 10.1016/j.xcrp.2024.101895
Xin Jin , Da-shuai Ma , Peng Yu , Xianyong Ding , Rui Wang , Xuewei Lv , Xiaolong Yang

Topological phonon states in crystalline materials have attracted significant research interests due to their importance for fundamental physical phenomena, yet their implication for phonon thermal transport remains largely unexplored. Here, we use density functional theory calculations and symmetry analyses to explore topological phonon phase transitions under uniaxial strains and their tuning effects on thermal transport in titanium monoxide (TiO). Our calculation shows that the application of 10% tension significantly diminishes lattice thermal conductivity of TiO by 77% and 66% along the a and c axes, respectively, at room temperature. This suppression is found to result largely from the breaking of symmetry-protected degeneracy of acoustic branches, which induces a substantial enhancement of phonon scattering phase space due to the easier fulfillment of scattering selection rules. Our study provides evidence for the importance of phononic band topology in modulating thermal conductivity and offers a promising route toward controlling solid-state heat transport.



中文翻译:

应变驱动声子拓扑相变阻碍一氧化钛中的热传输

晶体材料中的拓扑声子态由于其对基本物理现象的重要性而引起了人们的广泛研究兴趣,但它们对声子热传输的影响在很大程度上仍未得到探索。在这里,我们使用密度泛函理论计算和对称性分析来探索单轴应变下的拓扑声子相变及其对一氧化钛(TiO)热传输的调节效应。我们的计算表明,在室温下,施加 10% 的张力可使 TiO2 沿 a 轴和 c 轴的晶格热导率分别显着降低 77% 和 66%。人们发现这种抑制很大程度上是由于声学分支的对称性保护简并性的破坏造成的,这由于更容易满足散射选择规则而导致声子散射相空间的显着增强。我们的研究为声子能带拓扑在调节热导率中的重要性提供了证据,并为控制固态热传输提供了一条有前途的途径。

更新日期:2024-03-27
down
wechat
bug