A NEW APPROACH TO THE AB INITIO CALCULATION OF ELECTRONIC STRUCTURE OF TRANSITION METALS AND THEIR ALLOYSReport as inadecuate




A NEW APPROACH TO THE AB INITIO CALCULATION OF ELECTRONIC STRUCTURE OF TRANSITION METALS AND THEIR ALLOYS - Download this document for free, or read online. Document in PDF available to download.



Abstract : The method of calculating the Greenian by use of an overcomplete set of functions which was developed previously by the authors is applied to dilute alloys of Ni containing non-transition elements as impurity. The rapid decrease of magnetization of Ni caused by the impurities is explained as arising from an anti-resonance which is due to the interference of the d virtual states with OPW states in the shielding of the impurity charge.





Author: J. Kanamori K. Terakura

Source: https://hal.archives-ouvertes.fr/



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