New potential hard magnetic material — NdTiFe11Nx

First-Principles Study of Structural and Magnetic Properties of R(Fe,Ti)12 and R(Fe,Ti)12N (R = Nd, Sm, Y)

“…In the present calculation, the c-axis expansion in NdFe 11 TiN is about 4% whereas it is about -1% in Ref. [5,6] and +1%, in Ref. [16], respectively.…”

“…Yang et al reported that interstitial nitrogenation shortens the c value for R=Nd and Sm, whereas that for R=Y is elongated, even though the changes in the Sm and Y compounds are quite small, less than 0.5% (nitrogen content y is not equal to 1 but approximately 0.5 per formula unit in their study) [5,6]. On the other hand, Akayama et al reported that the c-axis is expanded from 4.79Å to 4.86Å in the Nd compound with y=1.5 [16].…”

“…The properties are also affected by interstitial nitrogenation [5,6]. For example, interstitial nitrogenation enlarges the magnetic moment of NdFe 11 Ti from 21.273 µ B to 23.218 µ B , and enhances the uniaxial magnetocrystalline anisotropy substantially.…”

First-principles study on stability and magnetism of NdFe11M and NdFe11MN for M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn

“…The total magnetic moments of NdFe 11 Co and their nitrogenated compounds have almost the same values as those of NdFe 12 and its nitrogenated compound, and have much larger values than those of NdFe 11 Ti(8i), which are previously studied in theories and experiments. 1,2,11,12,32 Next the values of r …”

“…It is favorable for achieving large magnetization, hence iron-based ThMn 12 -type compounds have been studied as potential candidates for permanent magnet materials. [3][4][5][6][7][8][9][10] It was reported in the late 80's that SmFe 11 Ti has reasonably large magnetization and magnetocrystalline anisotropy. Although NdFe 11 Ti does not show uniaxial anisotropy, interstitial nitrogenation induces strong uniaxial anisotropy, and also increases the magnetization.…”