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Dependence of Silver Halide Energy Bands on Lattice Constant and Halogen
Author(s) -
Fowler W. B.
Publication year - 1972
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.2220520227
Subject(s) - lattice constant , halogen , halide , silver halide , lattice (music) , chemistry , lattice energy , condensed matter physics , atomic physics , physics , diffraction , crystal structure , quantum mechanics , crystallography , inorganic chemistry , alkyl , organic chemistry , layer (electronics) , acoustics
The mixed basis method has been used to compute the energies of selected electronic states of AgF, AgCl, and AgBr at their normal lattice constants, and in addition AgCl at lattice constants appropriate to AgF and AgBr. From these a fairly clear physical picture emerges regarding chemical shifts, hybridization effects, Madelung shifts, and other effects which determine the locations of various states. Results for AgCl and AgBr at their normal lattice constants compare favorably with earlier calculations and with earlier experiments. More recent optical experiments on these solids by Carrera and Brown appear to be in accord with some of these results. The absorption data of Marchetti and Bottger on AgF are discussed, and it is suggested that the low‐energy peak which is observed arises from a direct forbidden excition at T. Band gap deformation Potentials for AgCl are obtained which are in qualitative agreement with results deduced from stress experiments by Aust and by Brothers and Lynch. Finally, the temperature dependent photoemission reported by Bauer and Spicer in AgCl is discussed with respect to the dependence of various energies on lattice constant.