Open AccessElectronic structure of the ideal Si (001) surface by first-principles calculations
Author(s) -
M. D. Manyakin,
С. И. Курганский
Publication year - 2020
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/1658/1/012032
Subject(s) - electronic structure , ideal (ethics) , monatomic gas , materials science , silicon , surface (topology) , layer (electronics) , plane wave , transformation (genetics) , molecular physics , computational chemistry , nanotechnology , chemistry , optoelectronics , optics , geometry , physics , mathematics , philosophy , organic chemistry , epistemology , biochemistry , gene
The electronic structure of Si nanofilms with an ideal unreconstructed surface (001) was modeled using the full-potential linearized augmented plane wave method. Total and local density of states spectra are calculated. The transformation of the electronic structure of nanofilms with an increase in their thickness from 1 to 10 silicon elementary cells along the crystallographic direction Z (4-40 monoatomic layers) is considered. A layer-by-layer analysis of a nanofilm electronic structure with a thickness of 40 atomic layers was performed.