Numerical evaluation of the effect of the twist angle on phonon hydrodynamics in twisted bilayer graphene

被引:3
作者
Yang, Ningxi [1 ]
Chen, Rongkun [1 ,2 ]
Liu, Yinong [1 ]
Ren, Weina [2 ]
Hu, Shiqian [1 ]
机构
[1] Yunnan Univ, Sch Phys & Astron, Yunnan Key Lab Quantum Informat, Kunming 650091, Peoples R China
[2] Kunming Univ Sci & Technol, Fac Sci, Kunming 650500, Peoples R China
关键词
DENSITY-FUNCTIONAL THEORY; THERMAL-CONDUCTIVITY; 2ND SOUND; TRANSPORT;
D O I
10.1103/PhysRevB.110.245305
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
The influence of twist angles on the thermal transport properties of bilayer graphene has attracted considerable attention within the scientific community. However, the relationship between twist angle and phonon hydrodynamics remains insufficiently explored. Additionally, the limitations of empirical potential fields have often restricted the accuracy of previous calculations. In this study, we systematically examine the effect of twist angle on phonon hydrodynamics in twisted bilayer graphene using a machine learned neuroevolution potential combined with the Boltzmann transport equation. Our results reveal a distinctive "V-shaped" trend in thermal conductivity, driven by variations in N-type and U-type phonon scattering rates, underscoring the significant influence of twist angle on phonon hydrodynamics. Particularly, the flexural mode plays a critical role, with its contribution to thermal conductivity decreasing as the twist angle changes. This analysis highlights the importance of machine learning potentials in accurately capturing interlayer interactions, providing a more precise understanding of thermal transport in two-dimensional materials and offering alternative possibilities for material manipulation.
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收藏
页数:10
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