【摘 要】
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The interest in SnTe has recently increased due to its topological crystalline insulator nature, despite the fact that SnTe is always heavily p type.Here, using
【出 处】
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第十八届全国凝聚态理论与统计物理学术会议
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The interest in SnTe has recently increased due to its topological crystalline insulator nature, despite the fact that SnTe is always heavily p type.Here, using first-principles calculations, we identify the microscopic origin of the p-type conductivity of SnTe.It is found that the negatively charged Sn vacancy (V 2-Sn) dominates the electronic properties of SnTe: regardless of the growth conditions, V 2-Sn always has a negative formation energy within the band gap, which forces the Fermi level below the valence band maximum (VBM), leading to degenerate p-type doping.
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