Initial Processes of Sulfur Adsorption on Si（100） Surface  

作　　者：MA Li WANG Jian-Guang WANG Guang-Hou 

机构地区：National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China

出　　处：《Communications in Theoretical Physics》2005年第4X期724-726,共3页理论物理通讯（英文版）

基　　金：国家自然科学基金

摘　　要：The adsorption of one monolayer S atoms on ideal Si（100） surface is studied by using the self-consistent tight binding linear muffon-tin orbital method. Energies of adsorption systems ors atoms on different sites are calculated. It is found that the adsorbed S atoms are more favorable on B1 site （bridge site） with a distance 0.131 nm above the Si surface. The .S, Si mixed layer might exist at S/Si（100） interface. The layer projected density of states are calculated and compared with that of the clean surface. The charge transfers are also investigated.

关 键 词：SULFUR silicon CHEMISORPTION SUPERCELL interaction 

分 类 号：O485[理学—固体物理]