Вид документа : Статья из журнала Шифр издания : 54/E 27 Автор(ы) : Medvedeva N. I., Shein I. R., Konyaeva M. A., Ivanovskii A. L. Заглавие : Effect of Chromium on the Electronic Structure and Magnetic Properties of Cementite Место публикации : The Physics of Metals and Metallography. - 2008. - Vol. 105, № 6. - С. 568-573: il. Примечания : Bibliogr. : p. 572-573 (24 ref.) ISSN: 0031-918X ББК : 54 Предметные рубрики: ХИМИЧЕСКИЕ НАУКИ Ключевые слова (''Своб.индексиров.''): хром--магнитные свойства--цементит Аннотация: Using ab initio methods, the influence of chromium on the electron structure and magnetic properties of cementite Fe3C has been investigated depending on the chromium concentration and the possibility of the formation of a chromium carbide Cr3C has been considered. It has been established that it is the general positions of iron in the lattice of cementite that are most energetically preferable for the substitution by chromium. Chromium leads to a strengthening of interatomic interactions and the change in the sign of the enthalpy of formation in the Fe3 –xCrxC system at x= 1.9. The magnetic moments at the atoms of chromium and iron are oriented antiferromagnetically and the total magnetization of the alloyed system decreases with increasing chromium concentration Доп.точки доступа: Medvedeva, N. I.; Медведева Надежда Ивановна; Shein, I. R.; Konyaeva, M. A.; Ivanovskii, A. L.; Ивановский Александр Леонидович