Duriagina, Z.A.; Pavlenko, N.; Shcherbovskikh, N.
(Наносистеми, наноматеріали, нанотехнології, 2011)
Using the density functional theory, we perform a full atomic relaxation of the bulk ferrite with 12.5%-concentration of monoatomic interstitial Cr, which is periodically located at the edges of the Feα b.c.c. cell. As ...