Magnetic properties of NdFe 11 Ti and YFe 11 Ti, from experiment and theory
Source abstract
Abstract
NdFe11Ti and YFe11Ti serve as prototypes for rare-earth (RE) lean or REfree magnets with the ThMn12-type structure. Although NdFe11Ti has been studied for a long time the origin of its complex magnetism at low temperature is so far not well-understood. We present a comprehensive theoretical and experimental study of the magnetic properties of NdFe11Ti and RE-free YFe11Ti to elucidate the influence of the 4f electrons. The partially localized 4f electrons of Nd are the driving force behind the complex behavior of the magnetocrystalline anisotropy which changes from cone to uniaxial above 170 dK. The spontaneous magnetization and the five leading anisotropy constants were determined from high-quality single crystal samples over a wide temperature range using field dependencies of magnetization measured along the principle crystallographic directions. The experimental data are compared with density functional theory combined with a Hartree-Fock correction (+U) and an approximate dynamical mean-field theory.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Magnetic Properties of Alloys · Geomagnetism and Paleomagnetism Studies · Rare-earth and actinide compounds
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (65)
Show source-provided references
1. Intrinsic magnetic properties in R(Fe1−xCox)11TiZ(R=YandCe;Z=H,CandN)10.1103/PhysRevB.94.024423 ↗
2. Theoretical screening of intermetallic thmn12-type phases for new hard-magnetic compounds with low rare earth content10.1038/srep24686 ↗
3. Intrinsic magnetic properties of SmFe12−xVx alloys with reduced v-concentration10.1016/j.jallcom.2019.01.332 ↗
4. The CeFe11Ti permanent magnet: a closer look at the microstructure of the compound
5. Ab initio phase stabilities of ce-based hard magnetic materials and comparison with experimental phase diagrams10.1103/PhysRevMaterials.3.084407 ↗
6. Nitrogen as the best interstitial dopant among X=B, C, N, O, and F for strong permanent magnet NdFe11TiX: first-principles study10.1103/PhysRevB.92.184426 ↗
7. Twins a weak link in the magnetic hardening of ThMn12-type permanent magnets10.1016/j.actamat.2021.116968 ↗
8. Structure and magnetic properties of the ThMn12 type NdFeM (M=Si/Al/B/transition metals) alloys10.1109/20.42283 ↗
9. Perspective and prospects for rare earth permanent magnets10.1016/j.eng.2018.11.034 ↗
10. Magnetic anisotropy and spin-reorientation transion in RFe1111Ti (R = Nd, Tb, Dy, Er) rare-earth intermetallics10.1016/0304-8853(95)00282-0 ↗
11. Spin reorientation in Nd1−xYxFe11Ti10.1016/0304-8853(92)90592-C ↗
12. Magnetic phase transitions, magnetocrystalline anisotropy, and crystal-field interactions in the RFe11Ti series (where R=Y, Pr, Nd, Sm, Gd, Tb, Dy, Ho, Er, or Tm)10.1103/PhysRevB.47.3231 ↗
13. Magnetic anisotropy and mssbauer effect studies of YFe11ti and YFe11TiH
14. About hydrogen insertion in ThMn12 type alloys10.1016/S0925-8388(96)02900-3 ↗
15. Metastable phase YFe12 fabricated by rapid quenching method10.1063/1.4973799 ↗
16. Coey · 2010
17. A phenomenological model for the rare-earth contribution to the magnetic anisotropy in RFe11Ti and RFe11TiH
18. Neutron diffraction study of Y(Ti,Fe)1210.1063/1.342165 ↗
19. Physical properties of nitrogenated RFe11ti intermetallic compounds (R=Ce, Pr and Nd) with thmn12-type structure10.1016/0304-8853(94)90662-9 ↗
20. Anomalous behavior of electrical resistivity in NdFe11Ti10.1002/pssc.200304406 ↗
21. Neutron diffraction study of the nitride YTiFe11Nx10.1016/0038-1098(91)90204-9 ↗
22. Ab initio molecular-dynamics simulation of the liquid-metal amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
23. Efficiency of ab initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
24. Generalized gradient approximation made simple10.1103/PhysRevLett.77.3865 ↗
25. Full-Potential electronic structure method
26. Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis10.1139/p80-159 ↗
27. Density-functional theory and strong interactions: orbital ordering in mott-hubbard insulators10.1103/PhysRevB.52.R5467 ↗
28. Standard model of the rare earths analyzed from the hubbard i approximation10.1103/PhysRevB.94.085137 ↗
29. Multiplet effects in the electronic structure of intermediate-valence compounds10.1103/PhysRevB.79.165104 ↗
30. Correlated electronic structure and chemical bonding of ce pnictides and γ-Ce10.1103/PhysRevB.86.115116 ↗
31. Charge self-consistent dynamical mean-field theory based on the full-potential linear muffin-tin orbital method: methodology and applications10.1016/j.commatsci.2011.11.032 ↗
32. Determination of the crystal field parameters in SmFe11Ti10.1103/PhysRevB.102.064423 ↗
33. Magnetocrystalline anisotropy and magnetic domain structure of erfe11ti and hofe11ti compounds10.1016/j.jmmm.2005.10.203 ↗
34. The magnetic anisotropy of cobalt
35. Analysis of magnetization curves and magnetocrystalline anisotropy of uniaxial ferromagnets10.1007/s11041-017-0060-x ↗
36. Criterion for ferromagnetism from observations of magnetic isotherms10.1103/PhysRev.108.1394 ↗
37. Shape of temperature dependence of spontaneous magnetization of ferromagnets: quantitative analysis10.1103/PhysRevLett.94.107204 ↗
38. Gas-phase interstitially modified intermetallics r(fe11ti)z1−δ: II 3d magnetization of the compounds y(fe11ti)z1−δ (z=n, c)
39. Single crystal neutron diffraction investigations of the crystal and magnetic structures of r2fe14b (r=y, nd, ho, er)10.1016/S0925-8388(00)01353-0 ↗
40. Theory of first order magnetization processes: uniaxial anisotropy10.1016/0304-8853(80)90522-3 ↗
41. First order field induced magnetization transitions in single crystal Nd2Fe14b10.1063/1.339789 ↗
42. Intrinsic magnetic properties of hydrided and non-hydrided nd5fe17 single crystals10.1016/j.jallcom.2018.01.239 ↗
43. Les lois de laimantation et de la subdivision en domaines élémentaires dun monocristal de fer10.1051/jphysrad:01944005012026500 ↗
44. The magnetization process in hexagonal ferromagnetic and ferrimagnetic single crystals10.1088/0022-3719/8/2/013 ↗
45. Theorie der anfangssuszeptibilitt und der magnetisierungskurve von hexagonalen kobalt-einkristallen10.1016/0025-5416(66)90027-9 ↗
46. Micromagnetic analysis of spin-reorientation transitions. the role of magnetic domain structure10.1016/j.physb.2015.08.044 ↗
47. High field first order transitions in prco5±x: the role of the K3 anisotropy constant10.1016/0304-8853(80)90664-2 ↗
48. Competing anisotropies and first order magnetization processes10.1063/1.346538 ↗
49. Determining anisotropy constants from a first-order magnetization process in Tb2Fe1710.1103/PhysRevB.77.132411 ↗
50. Rotational magnetocaloric effect in the Er2Fe14b single crystal10.1109/TMAG.2016.2530138 ↗
51. Magnetic anisotropy of yfe11ti and its hydrids10.1134/1.1130288 ↗
52. A magnetic and mössbauer spectral study of the spin reorientation in NdFe11Ti and NdFe11TiH10.1063/1.1736333 ↗
53. Magnetic and crystallographic properties of novel fe rich rare earth nitrides of the type RTiFe11N1δ (invited)10.1063/1.350074 ↗
54. Electronic structure and magnetism of YFe11Ti10.1063/1.352435 ↗
55. Origin of magnetic anisotropy in doped ce2co17 alloys10.1103/PhysRevB.94.144429 ↗
56. Ab-initio study of the electronic structure and magnetic properties of Ce2Fe1710.1016/j.jallcom.2021.161521 ↗
57. Magnetic properties of R(Fe,Mn)11Ti compounds10.1063/1.361987 ↗
58. First-principles study of magnetocrystalline anisotropy and magnetization in NdFe12, NdFe11Ti, and NdFe11TiN
59. Hard magnetic materials: a perspective10.1109/TMAG.2011.2166975 ↗
60. Electrons at the fermi surface
61. First-principles calculation of the magnetocrystalline anisotropy energy of iron, cobalt, and nickel10.1103/PhysRevB.41.11919 ↗
62. Magnetization of a DyFe11Ti) single crystal10.1103/PhysRevB.41.2221 ↗
63. Mixed valency and site-preference chemistry for cerium and its compounds: a predictive density-functional theory study10.1103/PhysRevB.89.235126 ↗
64. Combining electronic structure and many-body theory with large databases: a method for predicting the nature of 4f states in Ce compounds10.1103/PhysRevMaterials.1.033802 ↗
65. Localized versus itinerant character of 4f-states in cerium oxides