首页|Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe

Strong anisotropy of thermal transport in the monolayer of a new puckered phase of PdSe

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We examine the electronic and transport properties of a new phase PdSe monolayer with a puckered structure calculated by first-principles and Boltzmann transport equation.The spin-orbit coupling is found to play a negligible effect on the electronic properties of PdSe monolayer.The lattice thermal conductivity of PdSe monolayer exhibits remarkable anisotropic characteristic due to anisotropic phonon group velocity along different directions and its intrinsic structure anisotropy.The compromised electronic mobility despite a relatively low thermal conduction results in a moderate ZT value but significantly anisotropic thermoelectric perfor-mance in single-layer PdSe.The present work suggests that the remarkable thermal transport anisotropy of PdSe monolayer can be used for thermal management,and enhance the scope of possibilities for heat flow manipu-lation in PdSe based devices.The sizeable puckered cages and wiggling lattice implies it an ideal platform for ionic and molecular engineering for thermoelectronic applications.

2D materialsfirst-principles calculationsphonon

Zheng Shu、Huifang Xu、Hejin Yan、Yongqing Cai

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Joint Key Laboratory of the Ministry of Education,Institute of Applied Physics and Materials Engineering,University of Macau,Taipa,Macau 999078,China

National Natural Science Foundation of ChinaNatural Science Foundation of Guangdong Province,ChinaUniversity of MacauUniversity of MacauScience and Technology Development Fund from Macau SARHigh-Performance Computing Cluster(HPCC)which is supported by Information and Communication Technology Office(ICTO)of the Un

220223092021A1515010024SRG2019-00179-IAPMEMYRG2020-00075-IAPMEFDCT-0163/2019/A3

2024

10.1007/s11467-023-1354-7

物理学前沿
高等教育出版社

物理学前沿

CSTPCD
影响因子：0.816
ISSN：2095-0462
年,卷(期)：2024.19(3)
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