Electronic properties of (111) surface in crystals of A2B6 type

Authors

  • S.M. Zubkova
  • L.N. Rusina

DOI:

https://doi.org/10.15407/dopovidi2014.01.072

Keywords:

crystals, electronic properties, surface

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.

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Published

24.03.2025

How to Cite

Zubkova, S., & Rusina, L. (2025). Electronic properties of (111) surface in crystals of A2B6 type . Reports of the National Academy of Sciences of Ukraine, (1), 72–80. https://doi.org/10.15407/dopovidi2014.01.072