| CONDENSED MATTER: STRUCTURE, MECHANICAL AND THERMAL PROPERTIES |
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Structural and Electronic Properties of Sulfur-Passivated InAs(001) ( 2×6 ) Surface |
| LI Deng-Feng 1**, GUO Zhi-Cheng1, LI Bo-Lin1, DONG Hui-Ning1, XIAO Hai-Yan2
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1Department of Mathematics and Physics, Chongqing University of Posts and Telecommunications, Chongqing 400065
2Department of Applied Physics, University of Electronic Science and Technology of China, Chengdu 610054
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| Cite this article: |
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LI Deng-Feng, GUO Zhi-Cheng, LI Bo-Lin et al 2011 Chin. Phys. Lett. 28 086802 |
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Abstract The structural and electronic properties of S-passivated InAs(001)-(2×6) and InAs(001)−(2×1) surfaces are studied by first−principles total-energy calculations. Based on the calculated adsorption energies and electronic properties, we propose that the reconstruction of a S-treated InAs(001) surface should be InAs(001)–(2×6)S rather than InAs(001)−(2×1)S. This is similar to the adsorption behavior of S on a GaAs(001) surface. The Fermi level of an InAs(001)−(2×6)S surface exists above the conduction band minimum by 371 meV and the energy gap becomes 0.145 eV smaller than the clean surface. A strong surface electron accumulation layer is formed and downward band bending is increased, which is in good agreement with recent experiments.
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| Keywords:
68.35.-p
71.15.Mb
73.20.At
73.61.Ey
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Received: 06 March 2011
Published: 28 July 2011
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| PACS: |
68.35.-p
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(Solid surfaces and solid-solid interfaces: structure and energetics)
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71.15.Mb
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(Density functional theory, local density approximation, gradient and other corrections)
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73.20.At
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(Surface states, band structure, electron density of states)
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73.61.Ey
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(III-V semiconductors)
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