Self-consistent pseudopotential calculations for InP(110) surface have been carried out using the repeated slab method and assuming relaxed surgace geometry. Various surface states have been found and their character and symmetry properties have been investigated by analyzing the corresponding pseudocharge density maps. Comparison between self-consistent and non-self-consisting calculations shows significant differences.The results are in agreement with the experimental finding obtained by different techniques.
SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATION OF THE ELECTRONIC-PROPERTIES OF THE INP (110) SURFACE / Manghi, Franca; Molinari, Elisa; Bertoni, Carlo Maria; CALANDRA BUONAURA, Carlo. - In: JOURNAL OF PHYSICS. C. SOLID STATE PHYSICS. - ISSN 0022-3719. - STAMPA. - 15:(1982), pp. 1099-1109. [10.1088/0022-3719/15/5/027]
SELF-CONSISTENT PSEUDOPOTENTIAL CALCULATION OF THE ELECTRONIC-PROPERTIES OF THE INP (110) SURFACE
MANGHI, Franca;MOLINARI, Elisa;BERTONI, Carlo Maria;CALANDRA BUONAURA, Carlo
1982
Abstract
Self-consistent pseudopotential calculations for InP(110) surface have been carried out using the repeated slab method and assuming relaxed surgace geometry. Various surface states have been found and their character and symmetry properties have been investigated by analyzing the corresponding pseudocharge density maps. Comparison between self-consistent and non-self-consisting calculations shows significant differences.The results are in agreement with the experimental finding obtained by different techniques.
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