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THE CALCULATION OF THE SELF-TRAPPING ENERGY IN CRYSTALS WITH MIXED-VALENCE BAND

Author(s) : HEIFETS, EN , SHLUGER, AL
Description : We present a method of calculation of the localization energy of the hole in the crystal in which the density of states in the valence band has comparable contributions from both cation and anion states. The method is applied to the study of hole self-trapping in AgCl. The quantum-chemical simulatio...
Repository : UCL Eprints , View repository documents
Language(s) : Undetermined
Subject(s) : ELECTRONIC-STRUCTURE, CLUSTERS, AGCL, HOLE, LOCALIZATION, SOLVATION, EXCITONS, DYNAMICS, HALIDES
Publisher(s) : IOP PUBLISHING LTD
Contributor(s) :
Source(s) :
Publication Date(s) : 1992-10-26