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dc.contributor.authorStashans, A.es_ES
dc.contributor.authorJácome, S.es_ES
dc.description.abstract© 2016 World Scientific Publishing Company.Study of corundum-type chromium oxide (?-Cr2O3) crystal doped with the nitrogen and magnesium impurities has been carried out through the use of first-principles calculations based on the density functional theory (DFT) and generalized gradient approximation (GGA). Three cases corresponding different impurity-impurity distances have been considered. Structural, electronic and magnetic properties have been studied for all co-doping cases. The p-type electrical conductivity was found when distance between the Mg and N atoms is equal to 4.10 �. The results obtained are consistent with the available experimental data.es_ES
dc.titleQuantum-chemical study of nitrogen and magnesium co-doping in ?-Cr2O3es_ES
dc.publisherModern Physics Letters Bes_ES
Appears in Collections:Artículos de revistas Científicas

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