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, Zhao

机构：[1] College of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China; [2] College of Physics and Electronic Science, Guizhou Normal University, Guiyang, 550025, China; [3] College of Information, Guizhou University of Finance and Economics, Guiyang, 550025, China; [4] Guizhou Institute of Technology, Guiyang, 550002, China

第一机构：College of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, China

通信机构：College of Big Data and Information Engineering, Guizhou University, Guiyang, 550025, 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)

语种：英文

外文关键词：Structural properties - Gallium phosphide - Semiconductor alloys - III-V semiconductors - Refractive index - Indium - Surface properties

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 InxGa1?xP 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. ? 2018 Elsevier B.V.