首页|Insight into vertical piezoelectric characteristics regulated thermal transport in van der Waals two-dimensional materials
Insight into vertical piezoelectric characteristics regulated thermal transport in van der Waals two-dimensional materials
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The urgent demand of extreme(ultra-high/low)thermal conductivity materials is triggered by the high-power device,where exploring the theories and mecha-nisms of regulating thermal transport properties plays a key role.Herein,we elaborately investigate the effect of ver-tical(out-of-plane)piezoelectric characteristics on thermal transport,which is historically undiscovered.The different stacking-order(AA and AB)bilayer boron nitride(Bi-BN)in two-dimensional(2D)materials are selected as study cases.By performing state-of-the-art first-principles cal-culations,it is found that the polarization charge along the out-of-plane orientation ascends significantly with the increasing piezoelectric response in AB stacked Bi-BN(Bi-BN-AB)followed by the enhanced interlayer B-N atomic interactions.Consequently,the amplitude of pho-non anharmonicity in Bi-BN-AB increases larger than that in the AA stacked Bi-BN(Bi-BN-AA),resulting in the dramatic weakening of the thermal conductivity by 20.34％under 18％strain.Our research reveals the significant role of the vertical(out-of-plane)piezoelectric characteristic in regulating thermal transport and provides new insight into accurately exploring the thermal transport performance of 2D van der Waals materials.
State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body,College of Mechanical and Vehicle Engineering,Hunan University,Changsha 410082,China
Hunan Key Laboratory for Micro-Nano Energy Materials and Device and School of Physics and Optoelectronics,Xiangtan University,Xiangtan 411105,China
Institute of Materials Science,Technical University of Darmstadt,Alarich-Weiss-Str.2,64287 Darmstadt,Germany
School of Physics and Microelectronics,Zhengzhou University,Zhengzhou 450001,China
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国家自然科学基金国家自然科学基金国家自然科学基金中央高校基本科研业务费专项中央高校基本科研业务费专项State Key Laboratory of Advanced Design and Manufacturing for Vehicle Body at Hunan University
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