Електронні властивості поверхні (111) в А3В5 та А2В6 кристалах

T.V., Gorkavenko; S.M. Zubkova; V.A. Makara; L.N. Rusina; O.V. Smelyansky

doi:10.15407/ujpe56.2.147

Electronic Properties of (111) Surface in A3B5 and A2B6 Crystals

Authors

T.V., Gorkavenko Taras Shevchenko National University of Kyiv, Faculty of Physics
S.M. Zubkova I.M. Frantsevych Institute for Problems of Materials Science, Nat. Acad. of Sci. of Ukraine
V.A. Makara Taras Shevchenko National University of Kyiv, Faculty of Physics
L.N. Rusina I.M. Frantsevych Institute for Problems of Materials Science, Nat. Acad. of Sci. of Ukraine
O.V. Smelyansky I.M. Frantsevych Institute for Problems of Materials Science, Nat. Acad. of Sci. of Ukraine

DOI:

https://doi.org/10.15407/ujpe56.2.147

Keywords:

Abstract

The electronic band structure, the local densities of states (the total and layer-resolved ones), and the distribution of charge density of valence electrons at the (111) polar surface in A³B⁵ and A²B⁶ crystals, such as GaAs and ZnSe, have been studied. The properties of anion- and cation-terminated surfaces have been analyzed separately. The self-consistent ``3D'' 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-consistence procedure allowed difficulties associated with the surface-induced presence of reciprocal-lattice vectors shorter that 1 a.u. to be overcome.

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Published

2022-02-16

How to Cite

Gorkavenko Т., Zubkova С., Makara В., Rusina Л., & Smelyansky О. (2022). Electronic Properties of (111) Surface in A3B5 and A2B6 Crystals. Ukrainian Journal of Physics, 56(2), 147. https://doi.org/10.15407/ujpe56.2.147

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Issue

Vol. 56 No. 2 (2011)

Section

Solid matter

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