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- W2141151045 abstract "High-precision crystal structure parameters have been determined from Rietveld refinement of high-resolution neutron powder diffraction data in Nd3(Fe,Ti)29 and Nd3(Fe,Ti)29Nx intermetallics. The construction of the corresponding Wigner–Seitz (WS) polyhedra has revealed that some 12-fold (group-A) environments and the 14-fold (group-D, dumbbell) environments remain intact upon nitrogen uptake whereas some other 12-fold (group-B, C) environments transform according to the Frank–Kasper sequence . For comparison, WS cells were calculated for the 12-, 13-and 14-fold Frank–Kasper-like polyhedra of 1:12 and 2:17 types of structure. A global character of WS volume (WSV) relations has been revealed, where the corresponding WSVs follow the same trend for the three types of structure. Disclination nets have been constructed for the three types of structure, revealing that the easy-magnetization direction (EMD) of the iron sublattice is always along the [–Nd–Fe–] type of disclination line. A comparative analysis of the site hyperfine fields Bhfi in the three kinds of compound led to successful estimations of saturation magnetization (Ms(Fe) = 42.6 μB/fu) from Fe-site magnetic moments for and its nitride (Ms(Fe) = 52.8 μB/fu) at room temperature. The successful prediction of Fe-site magnetic moments, of EMD and of Ms from the comparative study of Frank–Kasper-like environments shows that this approach can provide adequate guidance in the search for better rare-earth–transition-metal (TM = Fe,Co) permanent magnets." @default.
- W2141151045 created "2016-06-24" @default.
- W2141151045 creator A5033171082 @default.
- W2141151045 creator A5061783734 @default.
- W2141151045 date "2003-11-07" @default.
- W2141151045 modified "2023-10-01" @default.
- W2141151045 title "Frank–Kasper polyhedra, disclination nets and basic magnetism in Nd3(Fe,Ti)29and Nd3(Fe,Ti)29Nxintermetallics" @default.
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- W2141151045 doi "https://doi.org/10.1088/0953-8984/15/46/013" @default.
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