Adsorption of Ni on Si(1 0 0) surface |
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| Authors: | Li Ma Jianguang Wang Guanghou Wang |
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| Affiliation: | a National Laboratory of Solid State Microstructures and Department of Physics, Nanjing University, Nanjing 210093, China
b College of Physics & Information Engineer, Henan Normal University, Xinxiang 453002, China |
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| Abstract: | The chemisorption of one monolayer Ni atoms on ideal Si(1 0 0) surface is studied by using the self-consistent tight binding linear muffin-tin orbital method. Energies of adsorption systems of Ni atoms on different sites are calculated. It is found that Ni atoms can adsorb at fourfold site above the surface and bridge site below the surface. The adsorption of Ni atoms can readily diffuse and penetrate into the subsurface. A Ni, Si mixed layer might exist at the Ni-Si(1 0 0) interface. The layer projected density states are calculated and compared with that of the clean surface. The charge transfers are also investigated. |
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| Keywords: | Nickel Silicon Low index single crystal surfaces Chemisorption Supercell |
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