A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers Full article
Journal |
Physics of Low-Dimensional Structures (up to 2006)
ISSN: 0204-3467 |
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Output data | Year: 2002, Volume: 9-10, Pages: 23-34 Pages count : 12 | ||
Tags | POLYNOMIAL TAILS | ||
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Abstract:
A set of equations whose order is independent of the number of layers in a slab is derived for calculation of the electronic structure of the slab. The equation sets for slab fragments of "cubium" crystal were solved for illustration. The dependence of the position of the levels corresponding to the band bottom, middle of the band, a surface state, and Fermi energy as well as the charge distribution in a number of layers in the slab are presented. The results are identical with those obtained using the conventional technique, but the computer time needed to calculate, e.g., a 50-layer slab is in 105 times shorter for the new technique compared with that for the conventional procedure. The proposed technique seems to be promising in applications to nanostructure materials.
Cite:
Tapilin V.M.
A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers
Physics of Low-Dimensional Structures (up to 2006). 2002. V.9-10. P.23-34. WOS Scopus РИНЦ
A Technique for Calculation of the Electronic Structure of Slabs with Arbitrary Number of Layers
Physics of Low-Dimensional Structures (up to 2006). 2002. V.9-10. P.23-34. WOS Scopus РИНЦ
Identifiers:
Web of science | WOS:000180145400003 |
Scopus | 2-s2.0-0036953661 |
Elibrary | 13399330 |