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

Dagistanli H., Kalayci Y., Mutlu R.

Radiation Physics and Chemistry, cilt.79, sa.9, ss.938-940, 2010 (SCI-Expanded)

Yayın Türü: Makale / Tam Makale
Cilt numarası: 79 Sayı: 9
Basım Tarihi: 2010
Doi Numarası: 10.1016/j.radphyschem.2010.04.006
Dergi Adı: Radiation Physics and Chemistry
Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus
Sayfa Sayıları: ss.938-940
Anahtar Kelimeler: 3d electron population, Alloying effect, X-ray intensity ratio
Ankara Üniversitesi Adresli: Evet

Özet

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.