THE DIFFERENCE BETWEEN THE SURFACE RECONSTRUCTIONS OF AlAs(001) AND GaAs(001)

Jianhua Shen, Ping Jiang and Xide Xie
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Jianhua Shen: Surface Physics Laboratory (National Key Laboratory) and Department of Physics, Fudan University, Shanghai 200433, China
Ping Jiang: Surface Physics Laboratory (National Key Laboratory) and Department of Physics, Fudan University, Shanghai 200433, China
Xide Xie: Surface Physics Laboratory (National Key Laboratory) and Department of Physics, Fudan University, Shanghai 200433, China

Surface Review and Letters (SRL), 1999, vol. 06, issue 06, 1167-1171

Abstract: AlAs(001) is compared with GaAs(001) byab initiopseudopotential total energy calculation. The results show that either similarities or differences in the stability of the surface reconstructions are obvious. On the Al-rich AlAs surface the reconstruction (2×1)/c (2×2) has an obvious energetic advantage. In this reconstruction the topmost Al atoms abnormally locate below the As atomic layer. Besides, on the As-rich GaAs surface a metastable reconstruction phase ofγ(2×4)appears if the surface coverage of As atoms is less than 1, while on the AlAs surface it is fully dimerized (2×1) phase more stable. In addition the thermodynamical analysis also indicates that in the mid-temperature range of MBE growth (e.g. 600°C withAs2pressure of2 × 10-6τ) this (2×1) phase is stable. Further calculations show that 0.2–1 monolayer of Ga atoms deposited on AlAs surface will result inγ(2×4)phase rather than (2×1) phase, while the deposited Ga atoms on the AlAs surface do not go below the topmost As atomic layer. The plausible conclusion is that formation of (2×1) phase on As-rich AlAs surface and the inner location of Al atoms on Al-rich (2×1)/c(2×2) reconstruction surface could be closely related to the obviously different modes of MBE growth on AlAs and GaAs surface, in the mid-temperature range.

Date: 1999
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DOI: 10.1142/S0218625X99001293

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