First-principles calculations of chromium oxide containing impurities

First-principles calculations of chromium oxide containing impurities

First-principles calculations based on the Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA) have been used to study the defective alpha-Cr2O3 crystal. Structural, electronic and magnetic properties due to Ti, Ca and N impurities have been studied. Ti-doped supercel...

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Detaylı Bibliyografya
Yazar:	Rivera Escobar, R. (author)
Diğer Yazarlar:	Stashans, A. (author)
Materyal Türü:	article
Baskı/Yayın Bilgisi:	2014
Online Erişim:	http://dspace.utpl.edu.ec/handle/123456789/19141
Etiketler:	Etiketle Etiket eklenmemiş, İlk siz ekleyin!

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