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Atomic Scattering Factors of Solid Elements
Author(s) -
Chakraborty S.,
Manna A.,
Ghosh A. K.
Publication year - 1985
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.2221290121
Subject(s) - atom (system on chip) , scattering , atomic physics , superposition principle , atomic number , charge (physics) , electron , binary number , alloy , physics , materials science , condensed matter physics , quantum mechanics , arithmetic , mathematics , computer science , embedded system , composite material
Abstract The atomic scattering factor f h for elastic scattering of electromagnetic radiation depends strongly on electronic charge distribution n ( r ) in the atom. Deviations of recently measured f h 's from those calculated from free‐atom electron states confirm the notion that n ( r ) gets appreciably modified in a solid. Recently it has been shown that the superposition of free‐atom charge densities through Löwdin's α‐expansion can help to find n ( r ) in a solid, which, in turn, yields a reasonable metallic cohesive energy and binary alloy formation energy. Here it is shown that the same procedure produces f h values that compare well with experiments as well as with more sophisticated band calculations.