The adsorption of In on the surface of (0 0 1) CdTe |
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Authors: | Jianli Wang Dongmei Bai |
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Institution: | a Nanjing National Microstructures Laboratory, Laboratory of Solid State Microstructures, Department of Physics, Nanjing University, Nanjing 210093, China b College of Science, Nanjing University of Aeronautics and Astronautics, Nanjing 210016, China |
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Abstract: | To understand CdTe doping with In, first-principle calculations are performed to obtain the various kinds of surface-structure for In on CdTe (0 0 1) surface. Of all the structures examined, the structure of CdTe (0 0 1) as caused by In adsorption atoms at the fourfold hollow sites with 0.25 monolayer coverage is the most energetically favorable. In atoms are adsorbed on the Cd-terminated surface, whereas below the Te-terminated surface. For the Cd-terminated surface, cadmium vacancy can form spontaneously and is energetically favorable. In atoms are likely to be adsorbed/incorporated at an interstitial site on Te-terminated CdTe (0 0 1) surfaces for most of the range of the chemical potential. |
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Keywords: | 68 35 bg 68 43 Bc 73 20 Hb |
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