Magnetic order and phase diagram of magnetic alloy system: MgxNi1–xO alloy. Issue 9 (15th May 2017)

• Record Type: Journal Article
• Authors: Li, Mingkai; Long, Debing; Ahuja, Rajeev; He, Yunbin
• Is Part Of: Physica status solidi. Volume 254:Issue 9(2017)
• Page Start: n/a
• Page End: n/a
• Publication Date: 2017-05-15
• Subjects: density functional theory -- magnetic alloys -- magnetic order -- MgxNi1–xO -- phase diagram; Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201700085
• Languages: English
• ISSNs: 0370-1972

Abstract

Abstract : The antiferromagnetic phase diagram of Mg x Ni1 −x O 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.