Simultaneous enhancement in electrical conductivity and Seebeck coefficient by single-to double-valley transition in a Dirac-like band
作者机构：School of Energy and Power EngineeringHuazhong University of Science and TechnologyWuhanHubei430074China Peter Grünberg Institut and Institute for Advanced SimulationForschungszentrum Jülich and JARAD-52425JülichGermany Department of Chemistry and Chemical BiologyHarvard UniversityCambridgeMA02138USA
出 版 物：《npj Computational Materials》 (计算材料学（英文）)
年 卷 期：2022年第8卷第1期
页 面：2239-2246页
核心收录：
学科分类：07[理学] 070202[理学-粒子物理与原子核物理] 0702[理学-物理学]
基 金：T.-H.L.and R.Y.acknowledge that this work was financially supported from the National Key Research and Development Program of China under Grant No.2022YFB3803900 from the National Natural Science Foundation of China under Grant No.52076089 H.-J.K.gratefully acknowledges financial support from the AIDAS project of the Forschungszentrum Jülich and CEA and from the Alexander von Humboldt Foundation(No.KOR 1211335 HFST-P)
主 题：conductivity double coefficient
摘 要：SnTe possesses a single-to double-valley transition in the conduction band minimum when a compressive strain is *** a tight-binding analysis,it is shown that the variation of the band structure is attributed to the strain-induced delocalization of both the Sn-5s orbitals and Te-5p orbitals with different angular *** effect can largely increase the electron density of states near the band edge and thus keep the Fermi level of the compressed SnTe closer to it,where the electrons have lower scattering *** strain-induced double valleys lead to simultaneous increases in the electrical conductivity and the Seebeck coefficient and thereby nearly four times the enhancement of the power factor at the doping concentration of 5×10^(19) cm^(–3).This work suggests a feasible concept that can be employed to promote the power factor of a Dirac semiconductor via manipulating the valley degeneracy in the conduction band minimum.
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