✦ LIBER ✦
Quantumchemical studies of chemisorption at anion or cation sites of the GaP (110) surface. Coverage dependence of adsorption energy and equilibrium in cases of positive and negative partial charge injection
✍ Scribed by W. Lorenz; C. Engler; A. Nechwatal; G. Adler
- Publisher
- John Wiley and Sons
- Year
- 1983
- Tongue
- English
- Weight
- 589 KB
- Volume
- 117
- Category
- Article
- ISSN
- 0370-1972
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✦ Synopsis
Abstract
Chemisorption of electronegative or electropositive atoms at anion or cation sites of a relaxed GaP (110) surface is investigated in the TB approximation, with parameters corresponding to fluor or lithium adsorption. Local densities of states and the dependences of the surface Fermi energy, partial charge injection, adsorption energy, and adsorption equilibrium upon the adsorption density are reported.