文献类型：期刊文献

英文题名：Calculation of electronic and optical properties of surface InxGa1-xP and indium-gradient structure on GaP (001)

作者：Liu, XueFei Luo, ZiJiang Zhou, Xun Wei, JieMin Wang, Yi Guo, Xiang Lang, QiZhi Ding, Zhao

第一作者：Liu, XueFei

通信作者：Ding, Z[1]

机构：[1]Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Guizhou, Peoples R China;[2]Guizhou Normal Univ, Coll Phys & Elect Sci, Guiyang 550025, Guizhou, Peoples R China;[3]Guizhou Univ Finance & Econ, Coll Informat, Guiyang 550025, Guizhou, Peoples R China;[4]Guizhou Inst Technol, Guiyang 550002, Guizhou, Peoples R China

第一机构：Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Guizhou, Peoples R China

通信机构：corresponding author), Guizhou Univ, Coll Big Data & Informat Engn, Guiyang 550025, Guizhou, Peoples R China.

年份：2018

卷号：153

起止页码：356-362

外文期刊名：COMPUTATIONAL MATERIALS SCIENCE

收录：;EI(收录号：20182905547641);Scopus(收录号：2-s2.0-85049755879);WOS:【SCI-EXPANDED(收录号:WOS:000441521600044)】；

基金：This work is supported by the Natural Science Foundation of China (Grant Nos. 11664005 and 61564002); Guizhou Normal University innovation and entrepreneurship education research center foundation. (Innovation and entrepreneurship education mode based on electronic design competition, 0418010). Joint Foundation of Guizhou Normal University (Qian Ke He LH Zi[2017]No. 7341.

语种：英文

外文关键词：Surface InxGa1-xP; Electronic properties; Optical properties; Indium-gradient

摘要：Electronic and optical properties such as the density of states, dielectric function, absorption, reflectivity, loss function and refractive index of surface InxGa1-xP(0 0 1) are investigated first time with first principle methods based on plane-wave pseudo-potentials method within the LDA approximation in this paper, and the results show that the physical properties are much different from bulk materials. The physical properties of surface In0.25Ga0.75P is observed to be very different from In0.5Ga0.5P and In0.75Ga0.25P and the causes are analyzed in this paper. An indium-gradient surface In(x)G(1)(-x)P structure has been calculated first time as well, and small differences in electronic and optical properties are found from In0.5Ga0.5P and indium-gradient structures except for x = (0.75, 0.25, 0.5), by which a new way is found to improve the physical properties with a given indium composition.