We report a study of the atomic and electronic structures of GaAs(001)/NiPtGe(001) interfaces. By using density functional theory, we study the dependence of the Schottky barrier on the interface stoichiometry. The calculated p -type Schottky barrier heights vary by as much as 0.18 eV around the average value of 0.5 eV, which corresponds to a strongly pinned interface. We relate the As-Ge bonds at the interface with a strong Fermi level pinning. © 2008 The American Physical Society.

Manish K. Niranjan

Department of Physics

L. Kleinman

A.A. Demkov

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Journal	Physical Review B - Condensed Matter and Materials Physics
ISSN	10980121