Effects of the vacancy and doping on the half-metallicity in La0.5Sr0.5MnO3

Autor:	Yu-Ling Song, Xiao-Xi Fan, Ying-Ni Duan, Abdugheni Kutluk, Xiu-Juan Du
Rok vydání:	2015
Předmět:	Materials science Spintronics Condensed matter physics Ferromagnetism Band gap Magnetism Vacancy defect Doping Atom Condensed Matter Physics Crystallographic defect Electronic Optical and Magnetic Materials
Zdroj:	Journal of Magnetism and Magnetic Materials. 384:229-234
ISSN:	0304-8853
DOI:	10.1016/j.jmmm.2015.01.089
Popis:	The structural, magnetic and electronic properties of the perfect and defective La0.5Sr0.5MnO3 are investigated by performing the first-principle calculation. The negative value of formation energy implies the formation process of N atom substituting O atom in La0.5Sr0.5MnO3 are exothermic, indicating this structure could stably exist. Both the perfect and defective La0.5Sr0.5MnO3 are found to be half-metallic ferromagnets and potential in spintronic devices. For La0.5Sr0.5MnO3, the gap width of 2.902 eV is extremely wide. While the gap width decrease with existing the defect and the gap width decreases according to the order of the perfect, VO and DN. There are different mechanisms determining the band gaps of the perfect and defective La0.5Sr0.5MnO3.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::f34ef21ef8e7d42a0d325023678f9f3e https://doi.org/10.1016/j.jmmm.2015.01.089 Zobrazit plný text záznamu Full Text from ScienceDirect