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Energy bands in ordered beta‐brass
Author(s) -
Arlinghaus Frank J.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560010662
Subject(s) - brass , copper , beta (programming language) , reflectivity , position (finance) , energy (signal processing) , physics , atomic physics , materials science , optics , chemistry , computational physics , condensed matter physics , quantum mechanics , metallurgy , computer science , finance , economics , programming language
The energy bands in ordered beta‐brass are calculated with a new choice of potential, one with a sounder theoretical basis than those of previous calculations. The position of the copper 3 d bands is in much better agreement with optical reflectance data, thus giving us considerable confidence in the calculation techniques.