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Tellurium - modified surface states of GaAs(001) and InAs(001)

Author(s): Silva R. Claudino da | Ferraz A. C.

Journal: Brazilian Journal of Physics
ISSN 0103-9733

Volume: 29;
Issue: 4;
Start page: 823;
Date: 1999;
Original page

We investigate the stability and electronic structure of 1×2 and 2×2 GaAs(001):Te and InAs(001):Te surfaces with different degrees of tellurium coverage (thetaTe = , , , 1), by means of rst-principles pseudopotential calculations within density-functional theory. The adsorption stability decreases as the tellurium coverage increases. The adsorption on InAs(001) is more stable than on GaAs(001). As-Ga (or As-In) bonds for the uppermost As atoms are s²p² -like (nearly planar), while the Te bonds at the surfaces are sp³-like. The hetero-dimers in thetaTe = modify the character of GaAs(001):Te and InAs(001):Te surfaces resulting in a semiconductor structure.
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