Crystal and magnetic structure of Mn3IrSi
Crystal and magnetic structure of Mn3IrSi
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Mn3IrSi的晶体和磁性结构
DOI：
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发表时间：
2004
期刊：
影响因子：
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通讯作者：
O. Eriksson
中科院分区：
文献类型：
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作者：
T. Eriksson;R. Lizárraga;S. Felton;L. Bergqvist;Y. Andersson;P. Nordblad;O. Eriksson
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.
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.