Structure and magnetic order in Mn8Ga5
Source abstract
Abstract
Abstract The structural and magnetic properties of the binary Mn8Ga5 are investigated experimentally and by using density functional theory for the first time. Total energy arguments based on electronic structure calculations predict a Cu9Al4-type structure ( P 4 ¯ 3 m ) rather than the previously suggested Zn8Cu5-type structure. The most stable ordered atomic configuration strongly resembles that of the layered tetragonal L10 structure. Our results suggest that the high temperature σ2 and σ3 phases only differ in the degree of atomic order without change in crystal symmetry. Ferrimagnetic order with a magnetization that is highly sensitive to antisite-type atomic disorder is predicted and confirmed experimentally.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Magnetic Properties of Alloys · Rare-earth and actinide compounds · Magnetic properties of thin films
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (32)
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1. New permanent magnets; manganese compounds10.1088/0953-8984/26/6/064211 ↗
2. Replacement and original magnet engineering options (ROMEOs): a european seventh framework project to develop advanced permanent magnets without, or with reduced use of, critical raw materials10.1007/s11837-015-1412-x ↗
3. High spin polarization in epitaxial films of ferromagnetic Mn3Ga10.1103/PhysRevB.83.020405 ↗
4. Site-specific order and magnetism in tetragonal Mn3Ga thin films10.1103/PhysRevB.87.184429 ↗
5. The zero-moment half metal: how could it change spin electronics?10.1063/1.4943756 ↗
6. The constitution and structure of manganese-gallium alloys10.1007/BF03049257 ↗
7. Phase equilibria in the Mn-rich portion of Mn-Ga binary system10.1016/j.jallcom.2012.04.065 ↗
8. Magnetic properties of e- MnGa alloys with the DO19 type structure
9. Magnetic properties of ζ phase in Mn-Ga system10.1143/JPSJ.18.1096 ↗
10. A X-ray investigation of the manganese-gallium system10.7498/aps.29.469 ↗
11. Supplemental literature review of binary phase diagrams: Ag-Sn, Al-Pd, Ba-Gd, Ba-Pr,Cu-P, Dy-Ni, Ga-Mn, Gd-Sb, Gd-Zr, Ho-Te, Lu-Sb, and Mn-Nb10.1007/s11669-013-0262-x ↗
12. Structure, magnetic properties, and coercivity mechanism of rapidly quenched MnxGa ribbons10.1109/TMAG.2015.2434936 ↗
13. Intrinsic magnetic properties of single-phase Mn1+xGa (0 < x < 1) alloys10.1038/srep17086 ↗
14. Structural properties and large coercivity of bulk Mn3−xGa (0 <x <1.15)10.1063/1.4866844 ↗
15. Ferromagnetic tetragonal-type MnGa isotropic nanocrystalline microparticles10.1109/TMAG.2013.2245868 ↗
16. Phase structure and magnetic properties of Mn3Ga2 alloy10.1063/1.4868080 ↗
17. Hard magnetic properties of Mn-Ga melt-spun ribbons10.1063/1.4759351 ↗
18. Phase evaluation, magnetic, and electric properties of Mn60+x Ga40−x (x = 0–15) ribbons10.1063/1.4868081 ↗
19. Structural and magnetic transitions in cubic Mn3Ga10.1088/0953-8984/26/12/126001 ↗
20. Nanostructured D022 – Mn3Ga with high coercivity
21. Magnetism and electron transport of MnyGa (1 < y < 2) nanostructures10.1063/1.4812561 ↗
22. Formation and magnetic properties of the L10 phase in bulk, powder and hot compacted Mn-Ga alloys10.1016/j.jmmm.2015.04.097 ↗
23. Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
24. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
25. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis10.1139/p80-159 ↗
26. Atomic distributions in the γ - brass structure of the Cu-Zn system: a structural and theoretical study10.1021/ic0616380 ↗
27. VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data10.1107/S0021889811038970 ↗
28. A redetermination of the distribution of atoms in Cu5Zn8, Cu5Cd8 and Cu9Al410.3891/acta.chem.scand.22-0653 ↗
29. Epitaxial growth of ferromagnetic δ- phase manganese gallium on semiconducting scandium nitride (0 0 1)10.1016/j.jcrysgro.2009.02.033 ↗
30. Magnetic disorder as a first-order phase transformation10.1103/PhysRev.126.104 ↗
31. Kübler · 2000
32. Verification of Hume-Rothery electron concentration rule in Cu5Zn8 and Cu9Al4 γ-brasses by ab initio FLAPW band calculations10.1103/PhysRevB.71.165103 ↗