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First-principles study of Sr adsorption on InN (0001) |
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| Authors: | Jianli Wang Xiaoshan Wu Xianqi Dai Dongmei Bai |
| Institution: | 1. Department of Physics, Nanjing University, Nanjing National Laboratory of Microstructures, Laboratory of Solid State Microstructures, 210093, Nanjing, P.R. China 2. Department of Physics, Zhengzhou Teachers College, Zhengzhou, 450044, Henan, P.R. China 3. College of Science, Nanjing University of Aeronautics and Astronautics, 210016, Nanjing, P.R. China |
| Abstract: | Structures of Sr adsorbed on InN (0001) surfaces are theoretically investigated by first-principles calculations. The adsorption energies of Sr on InN (0001) decrease with decreasing Sr coverage. An InN (0001)-(2 ×2) surface structure covered by a 1/4 monolayer of Sr at the T4 sites may be the most energetically favourable. Sr atoms may substitute indium atoms, or accumulate at the voids inside InN films. The interstitial Sr defects may act as a potential source of compensation for the p-type behaviour of Sr-doped InN at the surface. |
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