Quantum chemical study of defective chromium oxide

Quantum chemical study of defective chromium oxide

Through the use of first-principles calculations based on the Density Functional Theory (DFT) within the Generalized Gradient Approximation (GGA), a study of the defective ?-Cr2O3 crystal has been performed. Structural, electronic and magnetic properties due to Ti, Ca and N impurities have been stud...

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Autor principal:	Rivera Escobar, R. (author)
Altres autors:	Stashans, A. (author)
Format:	article
Publicat:	2013
Matèries:	DFT
Accés en línia:	http://dspace.utpl.edu.ec/handle/123456789/19186
Etiquetes:	Afegir etiqueta Sense etiquetes, Sigues el primer a etiquetar aquest registre!

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