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• W2012783447 abstract "Self-consistent local density calculations of the electronic structures of AgF, AgCl and AgBr are carried out by the tight binding linearized muffin-tin orbital-atomic sphere approximation (TB LMTO-ASA) method. The silver 4d orbital strongly hybridizes with the halogen p orbitals in the valence band and this plays a vital role in the configuration of the total density of states. The relative position of the sharp peaks in the Ag d level and F, Cl, Br p level as well as the band gap values obtained in the total density of states of these silver halides are compared with the previous theoretical and experimental values." @default.
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• W2012783447 date "1996-01-01" @default.
• W2012783447 modified "2023-10-03" @default.
• W2012783447 title "The electronic structure of AgF, AgCl and AgBr" @default.
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• W2012783447 doi "https://doi.org/10.1016/0038-1098(95)00366-5" @default.
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