Energy bands in solids: bonding, energy levels and orbitals
作者:
Miklos Kertesz,
期刊:
International Reviews in Physical Chemistry
(Taylor Available online 1985)
卷期:
Volume 4,
issue 2
页码: 125-164
ISSN:0144-235X
年代: 1985
DOI:10.1080/01442358509353357
出版商: Taylor & Francis Group
数据来源: Taylor
摘要:
Qualitative aspects of semiempirical energy band calculations are surveyed with the purpose of highlighting the key features of the electronic structures of some insulators, semiconductors and metallic systems. The nodal structure of the electronic orbitals is stressed as the common underlying theme in such effects as: the Peierls distortions of metallic systems; the changing electron counts (due to charge transfer or different d-electron counts); the high-pressure transformations of solids. The range of applicability of semiempirical non-self-consistent band theories is assessed. The discussion is illustrated by several examples.
点击下载:
PDF (2128KB)
返 回