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The Lattice Vacancy in Si and Ge
Author(s) -
Yip Kwok Leung
Publication year - 1974
Publication title -
physica status solidi (b)
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.51
H-Index - 109
eISSN - 1521-3951
pISSN - 0370-1972
DOI - 10.1002/pssb.2220660225
Subject(s) - vacancy defect , condensed matter physics , lattice (music) , valence (chemistry) , materials science , valence band , band gap , electronic structure , atomic physics , molecular physics , chemistry , physics , quantum mechanics , acoustics
The extended Hückel theory is used to study the electronic structure of the vacancy in Si and Ge. Localized levels associated with the vacancy are found in the forbidden gap near the valence‐band edge. The equilibrium positions of the four neighboring atoms around the vacancy after symmetric relaxation are predicted for the four different charged states of the vacancy. Jahn‐Teller effects are found to he small. The migration energies for vacancies in Si and Ge are also estimated. Results are compared with other calculations and experimental data.