Electronic structure and magnetic properties of Fe4C

Autor:	M.I. da Costa, C.A. Kuhnen, A.V. dos Santos
Rok vydání:	1997
Předmět:	Materials science Condensed matter physics Magnetic moment Lattice (order) Density of states Equilibrium volume Electronic structure Total energy Condensed Matter Physics Electronic band structure Hyperfine structure Electronic Optical and Magnetic Materials
Zdroj:	Journal of Magnetism and Magnetic Materials. 166:223-230
ISSN:	0304-8853
DOI:	10.1016/s0304-8853(96)00445-3
Popis:	In the present work we analyze the electronic structure of Fe 4 C using the linear muffin-tin orbital (LMTO) method. The calculations were carried out for several lattice parameters, and the total energy calculation gives the equilibrium volume. Analysis of the density of states gives a good understanding of the electronic structure and magnetic properties of this compound. The behavior of the magnetic moments, hyperfine field and isomer shift with volume shows some similarities to the related compound Fe 4 N.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::cf45b4a7b3acbf1c0109137af66d5fa1 https://doi.org/10.1016/s0304-8853(96)00445-3 Zobrazit plný text záznamu Full Text from ScienceDirect