Pressure-driven semiconducting-semimetallic transition in SnSe

Physical Chemistry Chemical Physics : PCCP
Jiejuan YanChunxiao Gao

Abstract

In this work, we report the pressure-dependent electrical transport and structural properties of SnSe. In our experiments an electronic transition from a semiconducting to semimetallic state was observed at 12.6 GPa, followed by an orthorhombic to monoclinic structural transition. Hall effect measurements indicate that both the carrier concentration and mobility vary abnormally accompanied by the semimetallic electronic transition. First-principles band structure calculations confirm the semiconducting-semimetallic transition, and reveal that the semimetallic character of SnSe can be attributed to the enhanced coupling of Sn-5s, Sn-5p, and Se-3p orbitals under compression that results in the broadening of energy bands and subsequently the closure of the band gap. The pressure modulated variations of electrical transport and structural properties may provide an approach to improving the thermoelectric properties of SnSe.

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Citations

Oct 25, 2017·Journal of Molecular Modeling·Jingjing PengQinyu He
Apr 12, 2019·Physical Chemistry Chemical Physics : PCCP·Ilias EfthimiopoulosUlrich Schade
Dec 23, 2016·Journal of Physics. Condensed Matter : an Institute of Physics Journal·Achintya BeraA K Sood
Sep 28, 2017·Physical Chemistry Chemical Physics : PCCP·Junkai ZhangChunxiao Gao
Apr 11, 2020·Advanced Science·Xiao-Lei ShiZhi-Gang Chen
May 4, 2018·Advanced Science·Weiran ShiZhiming Wang
Jul 3, 2020·Chemical Reviews·Xiao-Lei ShiZhi-Gang Chen

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