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The Model Potential Method for an Extra Electron in Ionic Crystal
Author(s) -
Abarenkov I. V.
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.2220610244
Subject(s) - ionic bonding , electron , atomic orbital , position (finance) , ionic crystal , crystal (programming language) , conduction band , core (optical fiber) , thermal conduction , atomic physics , physics , ion , molecular physics , chemistry , materials science , thermodynamics , quantum mechanics , optics , computer science , finance , economics , programming language
The pseudo‐potential and mode. potential equations for an extra electron in ionic crystals are derived. The overlapping of the core orbitals is taken into account in the approximation linear in the overlap integrals. By means of this method the position of the bottom of the conduction band in KCl and NaCl is calculated.