文献类型：期刊文献

英文题名：Reconstructions and stabilities of PbTe(111) crystal surface from experiments and density-functional theory

作者：Wu, Haifei[1];Si, Jianxiao[2];Yan, Yonghong[1];Liao, Qing[4];Lu, Yunhao[3]

机构：[1]Shaoxing Univ, Dept Phys, Shaoxing 312000, Peoples R China;[2]Zhejiang Normal Univ, Coll Math Phys & Informat Engn, Jinhua 321004, Peoples R China;[3]Zhejiang Univ, Dept Mat Sci & Engn, Hangzhou 310027, Zhejiang, Peoples R China;[4]Hezhou Univ, Dept Phys, Hezhou 542899, Peoples R China

年份：2015

卷号：356

起止页码：742

外文期刊名：APPLIED SURFACE SCIENCE

收录：SCI-EXPANDED(收录号：WOS:000365351600097)、、EI(收录号：20154801609547)、Scopus(收录号：2-s2.0-84947789881)、WOS

基金：This work is supported by the National Natural Science Foundation of China (Grant nos. 51202149, 11374009, 51302248, 11204180, and 11464051), the Zhejiang Provincial Natural Science Foundation of China (Grant no. LQ12F04001), and the Ministry of Science and Technology of China.

语种：英文

外文关键词：Surface reconstruction; Reflection high energy electron diffraction; First principal calculations

外文摘要：Surface properties of epitaxially grown PbTe(1 1 1) thin films on BaF2(1 1 1) substrates were systematically investigated by the characterizations of in situ reflection high energy electron diffraction (RHEED) and atomic force microscope (AFM). First principal calculations were performed to facilitate the interpretation of experimental observations. Our results indicate that substrate temperature (T-sub) and chemical environment are crucial in determining the type of surface structure during the growth of PbTe(1 1 1) thin films. When PbTe is grown at T-sub = 250 degrees C, the metastable (1 x 1) structure is formed on the PbTe( 1 1 1) surface. However, whether T-sub is elevated to 300 degrees C or the PbTe( 1 1 1)-(1 x 1) sample grown at T-sub = 250 degrees C is post-annealed at 300 degrees C, the stable (2 x 1) reconstructions appear on the PbTe(1 1 1) surface. In Pb-rich environment, the most stable (2 1) reconstruction results from the substitution of the half of the 2nd Te atoms by Pb atoms, while in Te-rich environment, the most stable (2 x 1) reconstruction originates from the missing of half of the 1st Pb atoms. (C) 2015 Elsevier B.V. All rights reserved.