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《Laser & Optoelectronics Progress》 2015-06
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Theoretical Study of Electrical and Optical Properties of Ge-Doped 6H-SiC

Zang Yuan;Cao Lin;Li Lianbi;Lin Tao;Yang Fei;Department of Electronic Engineering, Xi′an University of Technology;Department of New Electrical Materials & Microelectronics, State Grid Smart Grid Research Institute;  
Electronic structure and optical properties of Ge-doped 6H-Si C(GexSi1- xC) are calculated by ultrasoft pseudopotential technology of total energy- plane wave based on the density functional theory. The formation energy of impurities illustrates that Ge dopants prefer to occupy the substitutional Si sites for lower energy and more stable state. Analysis band structures, density of states and optoelectronic characteristics of6H-Si C shows that the valence band maximum is determined by C-2p states and the conduction band minimum is occupied by the Si-3p orbital. With more Ge content is incorporated within the structure, the conduction band minimum of GexSi1- xC has moved to lower energy and changes to be determined by Ge- 4p states. Dielectric function illustrates that the electronic transition in Ge0.333Si0.667 C which has a maximum Ge content is more simple than in 6H- Si C, and it′ s absorption edge and peaks are red- shifted to lower energy by 0.9 e V and 3.5 e V,respectively.
【Fund】: 国家自然科学家基金(51402230);; 陕西省教育厅自然科学基金(14JK1302);; 国家电网公司科技项目(5455DW140003 5455DW130008);; 北京市科技计划项目(D13110300190000)
【CateGory Index】: TN304.2
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