A first-principles study of magnetostrictions of Fe3O4 and CoFe2O4

Autor:	Purev Taivansaikhan, Soon Cheol Hong, Won Seok Yun, Dorj Odkhuu
Rok vydání:	2014
Předmět:	Charge ordering Lattice constant Materials science Octahedron Magnetic moment Condensed matter physics Ab initio quantum chemistry methods Band gap General Physics and Astronomy Density functional theory Magnetostriction
Zdroj:	Journal of Applied Physics. 115:17A916
ISSN:	1089-7550 0021-8979
DOI:	10.1063/1.4863811
Popis:	Effects of charge ordering in the octahedral sites of Fe3O4 and CoFe2O4 on their magnetostrictions are investigated using the density functional theory plus U approach. Precise description of charge ordering was found to be crucial in determining only band-gaps of Fe3O4 and CoFe2O4, but not other physical properties such as lattice constant, magnetic moment, and magnetostriction. And Co configuration in CoFe2O4 is important in determining its magnetostriction; the most stable configuration results in substantially enhanced magnetostriction (−245 ppm), compared to that (−25 ppm) of Fe3O4, in consistent with experiments.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::0fd957d760967d9f7f3d3ec89a06839e https://doi.org/10.1063/1.4863811 Zobrazit plný text záznamu