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Structure of ordered oxide on InAs(100) surface
Authors:MPJ Punkkinen  P Laukkanen  J Lång  M Kuzmin  J Dahl  HL Zhang  M Pessa  M Guina  L Vitos  K Kokko
Institution:1. Department of Physics and Astronomy, University of Turku, FI-20014 Turku, Finland;2. Applied Materials Physics, Department of Materials Science and Engineering, Royal Institute of Technology, SE-10044 Stockholm, Sweden;3. Optoelectronics Research Centre, Tampere University of Technology, FI-33101 Tampere, Finland;4. Ioffe Physical-Technical Institute of the Russian Academy of Sciences, St. Petersburg 194021, Russian Federation;5. Department of Physics and Astronomy, Division of Materials Theory, Uppsala University, Box 516, SE-75121 Uppsala, Sweden;6. Research Institute for Solid State Physics and Optics, Wigner Research Center for Physics, P.O. Box 49, H-1525 Budapest, Hungary
Abstract:It was recently found that oxygen induces ordered reconstructions on several III–V surfaces. The most oxygen-rich reconstruction shows (3 × 1) periodicity. Based on first-principles investigations, a detailed atomic model is presented for this reconstruction. The uncommon periodicity is attributed to the highly stable Insingle bondOsingle bondIn trilayer below surface which also leads to stabilizing additional bonds within the surface layer. The strain induced by the trilayer is more effectively accommodated within the (3 × 1) reconstruction than within the competing (2 × 1) reconstruction due to smaller number of dimers. It is proposed that the experimentally found semiconductivity is reached by substitutional atoms within the surface layer. Suitable substitution preserves the magnitude of the bulk band gap.
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