51. Crystal and magnetic structure ofMn3IrSi
- Author
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Per Nordblad, Lars Bergqvist, Olle Eriksson, Therese Eriksson, Yvonne Andersson, Raquel Lizárraga, and Solveig Felton
- Subjects
Physics ,Condensed matter physics ,Magnetic structure ,Magnetic moment ,media_common.quotation_subject ,Frustration ,Crystal structure ,Condensed Matter Physics ,Electronic, Optical and Magnetic Materials ,Crystal ,Antiferromagnetism ,Density functional theory ,Powder diffraction ,media_common - Abstract
A new ternary Ir-Mn-Si phase with stoichiometry ${\mathrm{Mn}}_{3}\mathrm{IrSi}$ has been synthesized and found to crystallize in the cubic ${\mathrm{AlAu}}_{4}$-type structure, space group ${P2}_{1}3$ with $Z=4,$ which is an ordered form of the \ensuremath{\beta}-Mn structure. The unit cell dimension was determined by x-ray powder diffraction to $a=6.4973(3)\AA{}.$ In addition to the crystal structure, we have determined the magnetic structure and properties using superconducting quantum interference device magnetometry and Rietveld refinements of neutron powder diffraction data. A complex noncollinear magnetic structure is found, with magnetic moments of $2.97(4){\ensuremath{\mu}}_{B}$ at 10 K only on the Mn atoms. The crystal structure consists of a triangular network built up by Mn atoms, on which the moments are rotated $120\ifmmode^\circ\else\textdegree\fi{}$ around the triangle axes. The magnetic unit cell is the same as the crystallographic and carries no net magnetic moment. The N\'eel temperature was determined to be 210 K. A first-principles study, based on density functional theory in a general noncollinear formulation, reproduces the experimental results with good agreement. The observed magnetic structure is argued to be the result of frustration of antiferromagnetic couplings by the triangular geometry.
- Published
- 2004