Local structure, magnetic and electronic properties of N-doped alpha-Cr2O3 from the first-principles

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 have been investigated in the periodic crystalline structure contai...

Fuld beskrivelse

Saved in:
Bibliografiske detaljer
Hovedforfatter: Stashans, A. (author)
Format: article
Udgivet: 2017
Fag:
Online adgang:http://dx.doi.org/10.1016/j.commatsci.2013.08.042
http://dspace.utpl.edu.ec/handle/123456789/19166
Tags: Tilføj Tag
Ingen Tags, Vær først til at tagge denne postø!