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Magnetic order and phase diagram of magnetic alloy system: MgxNi1-xO alloy
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory. Hubei Univ, Wuhan, Peoples R China.
Hubei Univ, Wuhan, Peoples R China.
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0003-1231-9994
Hubei Univ, Wuhan, Peoples R China.
2017 (English)In: Physica status solidi. B, Basic research, ISSN 0370-1972, E-ISSN 1521-3951, Vol. 254, no 9, article id 1700085Article in journal (Refereed) Published
Abstract [en]

The antiferromagnetic phase diagram of MgxNi1-xO alloy was reexamined theoretically by multicomponent cluster expansion method. It predicts antiferromagnetic state in the alloy with high Mg content, instead of a mixture of antiferromagnetic and paramagnetic states, which was deduced previously from neutron diffraction results. The theoretically found intermediate antiferromagnetic ground states at Mg contents of x(Mg) = 0.25 and 0.75 exhibit very low neutron diffraction intensities, which leads to confusion with paramagnetic state. Our approach here reduced remarkably the computation time in searching the intermediate ground states as well as calculating the magnetic phase diagram.

Place, publisher, year, edition, pages
2017. Vol. 254, no 9, article id 1700085
Keywords [en]
density functional theory, magnetic alloys, magnetic order, MgxNi1-xO, phase diagram
National Category
Condensed Matter Physics
Identifiers
URN: urn:nbn:se:uu:diva-335869DOI: 10.1002/pssb.201700085ISI: 000410648500020OAI: oai:DiVA.org:uu-335869DiVA, id: diva2:1176505
Funder
Swedish Energy AgencySwedish Research CouncilStandUpAvailable from: 2018-01-22 Created: 2018-01-22 Last updated: 2018-01-22Bibliographically approved

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Li, MingkaiAhuja, Rajeev

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