Title of article
First-principles study of (2×1) and (2×2) phosphorus-rich InP(001) surfaces
Author/Authors
Pulci، نويسنده , , Olivia and Lüdge، نويسنده , , Kathy and Schmidt، نويسنده , , W.G and Bechstedt، نويسنده , , F، نويسنده ,
Issue Information
هفته نامه با شماره پیاپی سال 2000
Pages
11
From page
272
To page
282
Abstract
The dependence of the InP(001) surface reconstruction on the chemical potentials of its constituents is explored. Based on first-principles pseudopotential plane-wave calculations the surface phase diagram is constructed. 17 structural models are studied for the phosphorus-rich InP(001) surfaces, with (2×1), p(2×2) and c(2×2) translational symmetry. P-top dimer reconstructions are favoured. Under less P-rich preparation conditions a tendency for disorder is predicted. STM images are also calculated in order to contribute to a solution of the structural puzzle.
Keywords
Surface states , etc.) , Surface potential , Density functional calculations , Indium phosphide , Low index single crystal surfaces , Surface electronic phenomena (work function
Journal title
Surface Science
Serial Year
2000
Journal title
Surface Science
Record number
1679442
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