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Structural and magnetic characterization of Mn3IrGe and Mn3Ir(Si1−xGex): experiments and theory
Authors:T Eriksson  L Bergqvist  O Eriksson
Institution:a Department of Materials Chemistry, Uppsala University, Box 538, SE-751 21 Uppsala, Sweden
b Department of Physics, Uppsala University, Box 530, SE-751 21 Uppsala, Sweden
c Department of Materials Science, Uppsala University, Box 534, SE-751 21 Uppsala, Sweden
Abstract:The structural and magnetic properties of a new ternary Ir-Mn-Ge phase, Mn3IrGe, as well as the solid solution Mn3Ir(Si1−xGex), 0?x?1, have been investigated by means of X-ray and neutron powder diffraction, magnetization measurements and first principles calculations. The crystal structure is cubic, of the AlAu4-type (an ordered form of the β-Mn structure), Z=4, space group P213, and the unit-cell dimension varies linearly with the silicon content. For all compositions, antiferromagnetic ordering is found below a critical temperature of about 225 K. The magnetic structure is noncollinear, as a result of frustrated magnetic interactions on a triangular network of Mn atoms, on which the moments rotate 120° around the triangle axes. The magnitude of the magnetic moment at 10 K is 3.39(4) μB for Mn3IrGe. The theoretical calculations reproduce with very good accuracy the magnitudes as well as the directions of the experimentally observed magnetic moments.
Keywords:Manganese-iridium germanide  Manganese-iridium silicide  Neutron diffraction  Rietveld method  Magnetic structure  Crystal structure  First principles calculations  Susceptibility measurements  Magnetic frustration
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