Magnetic order and phase diagram of magnetic alloy system : MgxNi1-xO alloy

• 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.

Subject headings

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

Keyword

density functional theory

magnetic alloys

magnetic order

MgxNi1-xO

phase diagram

Publication and Content Type

ref (subject category)

art (subject category)