| Title | Electronic properties of (111) surface in crystals of A2B6 type |
| Publication Type | Journal Article |
| Year of Publication | 2014 |
| Authors | Zubkova, SM, Rusina, LN |
| Abbreviated Key Title | Dopov. Nac. akad. nauk Ukr. |
| DOI | 10.15407/dopovidi2014.01.072 |
| Issue | 1 |
| Section | Physics |
| Pagination | 72-80 |
| Date Published | 1/2014 |
| Language | Russian |
| Abstract | Electronic band structure, local densities of states (total and layer-resolved ones), and the distribution of a charge density of valence electrons (3D-graphics and contour cards) at the (111) polar surface in ZnTe, ZnS, CdTe crystals have been studied. The properties of anion- and cation-terminated surfaces have been analyzed separately. The self-consistent three-dimensional pseudopotential method has been used for numerical calculations in the framework of a model of layered superlattice. The application of an original iterator in the self-consistent procedure allowed the difficulties associated with the surface-induced presence of reciprocal-lattice vectors shorter than 1 a. u. to be overcome. |
| Keywords | crystals, electronic properties, surface |
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