【摘 要】
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Density functional calculations determined the structures and electronic properties of bulk and two-dimensional SnSe.We obtained a detailed comparison on their band structures and an analysis on the r
【机 构】
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深圳大学材料科学与工程学院,深圳518060
【出 处】
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第十七届全国相图学术会议暨相图与材料设计国际研讨会
论文部分内容阅读
Density functional calculations determined the structures and electronic properties of bulk and two-dimensional SnSe.We obtained a detailed comparison on their band structures and an analysis on the resulting electrical transport properties.Semi-classic Boltzmann transport theory was then used to calculate the Seebeck coefficients, electrical conductivities and power factors, and the optimal doping concentrations were estimated based on the predicted maximum power factors.The temperature dependence of the thermoelectric transport properties of two-dimensional SnSe were also estimated and compared with the bulk SnSe.
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