Surface Structure and Electronic Property of InP(001)-(2×1)S Surface: A First-Principles Study
作者： Li Deng-Feng , Xiao Hai-Yan , Xue Shu-Wen , Yang Li , Zu Xiao-Tao
DOI: 10.1088/0256-307X/27/4/046802
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摘要: The surface structure and electronic property of InP(001)-(2 × 1)S under S-rich condition are investigated based on first-principles simulations. analyses phase transition show that the 3B model is most stable S-S dimer difficult to form. geometry agrees well with experiments. It also found has a good passivation band gap about 1.24eV. results indicate best candidate for sulfur-rich InP(001)(2 1)A phase.
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