Calculated valence electronic structure of 3d metals for use in the X-ray intensity ratio studies

Dagistanli, H.; Kalayci, Y.; Mutlu, R.H.

doi:10.1016/j.radphyschem.2010.04.006

Calculated valence electronic structure of 3d metals for use in the X-ray intensity ratio studies

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Dagistanli H., Kalayci Y., Mutlu R.

Radiation Physics and Chemistry, vol.79, no.9, pp.938-940, 2010 (SCI-Expanded)

Publication Type: Article / Article
Volume: 79 Issue: 9
Publication Date: 2010
Doi Number: 10.1016/j.radphyschem.2010.04.006
Journal Name: Radiation Physics and Chemistry
Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Page Numbers: pp.938-940
Keywords: 3d electron population, Alloying effect, X-ray intensity ratio
Ankara University Affiliated: Yes

Abstract

3d occupation numbers of the transition elements corresponding to various types of atomic configurations are calculated by means of the linear muffin-tin orbital (LMTO) method. This data is used with the multiconfiguration Dirac-Fock (MCDF) X-ray intensity ratios to estimate the electron populations of the 3d metals in alloys. © 2010 Elsevier Ltd.