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High-Pressure Electrical-Transport Properties of SnS: Experimental and Theoretical Approaches

机译:SnS的高压电输运特性:实验和理论方法

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The electrical transport behavior of SnS under high pressure has been investigated by the temperature dependence of electrical resistivity measurement, the in situ Hall-effect measurement, and the first-principle calculation. The experimental results show that SnS undergoes a semiconductor to semimetal transition at ~10.3 GPa, and this transition is further substantiated by the band-structure calculation. The total and partial density of states predict that the semimetal character of SnS is attributed to the enhanced coupling of Sn-5s, Sn-5p, and S-3p states with application of pressure. In addition, dramatic changes in electrical transport parameters such as the electrical resistivity, the carrier concentration, and the carrier mobility are observed at 12.6 GPa, which are correlated to the pressure-induced Pnma-Cmcm structural phase transition.
机译:通过电阻率测量的温度依赖性,原位霍尔效应测量和第一性原理计算,研究了SnS在高压下的电传输行为。实验结果表明,SnS在〜10.3 GPa处经历了从半导体到半金属的转变,这种转变可以通过能带结构计算得到进一步证实。状态的总密度和部分密度预测,SnS的半金属特性归因于施加压力后Sn-5s,Sn-5p和S-3p状态的增强耦合。此外,在12.6 GPa处观察到电传输参数的显着变化,例如电阻率,载流子浓度和载流子迁移率,这与压力引起的Pnma-Cmcm结构相变有关。

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