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Surface relaxation of the (1010) face of wurtzite CdS

Research output: Contribution to journalArticleScientificpeer-review


Original languageEnglish
Pages (from-to)77-82
Number of pages6
JournalSurcface Science
Publication statusPublished - 15 May 1996
Externally publishedYes
Publication typeA1 Journal article-refereed


Atomic geometry and electronic density of states of the wurtzite CdS (1010) cleavage surface have been calculated. Calculations were carried out with two different self-consistent ab initio LDA methods leading to similar results. Surface relaxation is found to be strong: cations relax towards bulk and anions outwards from the surface. This is in accordance with experimental observations and other published calculations.


  • Cadmium sulphide, Density-functional calculation, Semiconducting surfaces, Single crystal surfaces, Surface electronic phenomena, Surface relaxation and reconstruction