On the Description of Covalent Bonds in Diamond Lattice Structures by a Simplified Tight‐Binding Approximation
作者:
G. Leman,
J. Friedel,
期刊:
Journal of Applied Physics
(AIP Available online 1962)
卷期:
Volume 33,
issue 1
页码: 281-285
ISSN:0021-8979
年代: 1962
DOI:10.1063/1.1777107
出版商: AIP
数据来源: AIP
摘要:
The simplest possible tight‐binding approximation, usingsphybridized bonds and nearest neighbors overlaps, is used to describe the band structure of diamond, silicon, and germanium. This crude approximation has the great advantage of giving explicit and simple formulas for the Bloch functions andE(k) curves in the whole reciprocal space, as a function of two parameters: an overlap integral &lgr; and ansppromotion energy &egr;. The general band structure is discussed as a function of &egr;/&lgr;. The influence ofsphybridization on the band structure, covalent character of the valence electrons, optical and x‐ray spectra are discussed. It is shown how the energy gap should be related to cohesive energy and pressure. The reasonable agreement with experiment of these various predictions shows the usefulness of the method to understand in a rough and somewhat qualitative way general properties of covalent bonds in crystals.
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