Multiple Scattering Study for CI K XANES of KCl, SrCl 2 , and CsCl Crystals | Zendy

Kitamura M. | Zendy; Muramatsu S. | Zendy; Sugiura C. | Zendy

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Multiple Scattering Study for CI K XANES of KCl, SrCl 2 , and CsCl Crystals

Author(s) -

Kitamura M.,

Muramatsu S.,

Sugiura C.

Publication year - 1987

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.2221420119

Subject(s) - madelung constant , crystal (programming language) , scattering , xanes , spectral line , materials science , chemistry , condensed matter physics , molecular physics , crystallography , crystal structure , physics , optics , quantum mechanics , lattice energy , computer science , programming language

A method for constructing crystal potentials which explicitly includes Madelung corrections due to charge transfer is presented for multicomponent crystals. In two‐component crystals, this correction is systematically taken into account by the use of a reduced Madelung constant. On the basis of the crystal potentials obtained with this method including self‐consistent field calculations, Cl K XANES of KCl, SrCl 2 , and CsCl crystals is studied by a multiple scattering theory within the muffin‐tin approximation. It is found that the overall profiles of experimental spectra are well explained by the calculations.

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