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Ab initio understanding of magnetic properties in Zn2+ substitution of Fe3O4 ultra-thin film with dilute Zn substitution
KTH, School of Information and Communication Technology (ICT), Materials- and Nano Physics. School of Physics, Southeast University, Nanjing 211189, P. R. China.
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2018 (English)In: AIP Advances, ISSN 2158-3226, E-ISSN 2158-3226, Vol. 8, no 5, article id 055807Article in journal (Refereed) Published
Abstract [en]

The mechanism of the magnetic properties on the Zn2+ substituted Fe3O4 film have been investigated based on first principle calculations. It is found that the surface effect plays an important role in the occupation of Zn ion, and in turn changes the magnetic moment. It may also destroy the half metallic behavior of Fe3O4 film even if the Zn2+ concentration only is one Zn2+ per unit cell (4%), which is different from that in bulk material.

Place, publisher, year, edition, pages
American Institute of Physics (AIP), 2018. Vol. 8, no 5, article id 055807
Keyword [en]
Calculations, Iron compounds, Magnetic moments, Magnetic properties, Magnetism, Thin films, Ultrathin films, Ab initio, Bulk materials, First principle calculations, Half-metallic behavior, Per unit, Surface effect, Zn substitutions, Zinc
National Category
Physical Sciences
Identifiers
URN: urn:nbn:se:kth:diva-223110DOI: 10.1063/1.5006717ISI: 000427579900023Scopus ID: 2-s2.0-85038925219OAI: oai:DiVA.org:kth-223110DiVA, id: diva2:1186004
Note

QC 20180227

Available from: 2018-02-27 Created: 2018-02-27 Last updated: 2018-04-11Bibliographically approved

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