Ab initio calculation of chromium oxide containing Ti dopant

Article

Abstract: First-principles computations based on the density functional theory within the generalised gradient

Palabras claves:

DFT + U method, Electrical conductivity, Electronic properties, magnetism, Structure, Ti-doping, α-Cr O 2 3

Autores:

A. Stashans, Corina Novillo, F. Maldonado, Frank Maldonado, M. Novillo, Stashans A.

Fuentes:

google

rraae

scopus