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Title: Electronic Structure of Four-Element Clathrates of the Ba–Zn–Si–Ge System

Abstract

The results of calculations of the electronic structure of four-component crystals based on silicon and germanium are reported. The calculations are performed by the method of linearized augmented plane waves. Analysis of the results of calculation makes it possible to determine the dependence of the crystals’ properties on the relation between the numbers of silicon and germanium atoms in the elementary cell and also on the positions of substituting zinc atoms.

Authors:
 [1];  [2]
  1. Voronezh State Technical University (Russian Federation)
  2. Voronezh State University (Russian Federation)
Publication Date:
OSTI Identifier:
22750051
Resource Type:
Journal Article
Journal Name:
Semiconductors
Additional Journal Information:
Journal Volume: 52; Journal Issue: 3; Other Information: Copyright (c) 2018 Pleiades Publishing, Ltd.; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 1063-7826
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CLATHRATES; CRYSTALS; ELECTRONIC STRUCTURE; GERMANIUM; SILICON; WAVE PROPAGATION; ZINC

Citation Formats

Borshch, N. A., E-mail: n.a.borshch@ya.ru, and Kurganskii, S. I. Electronic Structure of Four-Element Clathrates of the Ba–Zn–Si–Ge System. United States: N. p., 2018. Web. doi:10.1134/S1063782618030089.
Borshch, N. A., E-mail: n.a.borshch@ya.ru, & Kurganskii, S. I. Electronic Structure of Four-Element Clathrates of the Ba–Zn–Si–Ge System. United States. doi:10.1134/S1063782618030089.
Borshch, N. A., E-mail: n.a.borshch@ya.ru, and Kurganskii, S. I. Thu . "Electronic Structure of Four-Element Clathrates of the Ba–Zn–Si–Ge System". United States. doi:10.1134/S1063782618030089.
@article{osti_22750051,
title = {Electronic Structure of Four-Element Clathrates of the Ba–Zn–Si–Ge System},
author = {Borshch, N. A., E-mail: n.a.borshch@ya.ru and Kurganskii, S. I.},
abstractNote = {The results of calculations of the electronic structure of four-component crystals based on silicon and germanium are reported. The calculations are performed by the method of linearized augmented plane waves. Analysis of the results of calculation makes it possible to determine the dependence of the crystals’ properties on the relation between the numbers of silicon and germanium atoms in the elementary cell and also on the positions of substituting zinc atoms.},
doi = {10.1134/S1063782618030089},
journal = {Semiconductors},
issn = {1063-7826},
number = 3,
volume = 52,
place = {United States},
year = {2018},
month = {3}
}