First-Principles Study of Magnetocrystalline Anisotropy and Magnetization in NdFe12, NdFe11Ti, and NdFe11TiN

We study magnetic properties of NdFe12, NdFe11Ti, and NdFe11TiN theoretically from first-principles. These materials are related to strong ferromagnets containing rare-earth elements. The crystal e...

[1]  M. Richter,et al.  Iron-rich versus cobalt-rich ThMn12-type intermetallics: a comparative study of the crystal fields , 1999 .

[2]  M. Richter,et al.  Ab initio calculation of the crystal field in RFe12 and RFe8M4 (M = Ti, V, Mo) , 1999 .

[3]  G. Kresse,et al.  From ultrasoft pseudopotentials to the projector augmented-wave method , 1999 .

[4]  M. Fähnle,et al.  Rare-earth magnetic anisotropy: Is the crystal field theory valid? , 1997 .

[5]  P. Novák Calculated Crystal Field Parameters in RCo5 and RNi5 Systems , 1996 .

[6]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[7]  Nitzsche,et al.  Ab initio calculation of electronic structure, crystal field, and intrinsic magnetic properties of Sm2Fe17, Sm2Fe17N3, Sm2Fe17C3, and Sm2Co17. , 1996, Physical review. B, Condensed matter.

[8]  Fähnle,et al.  Full-potential linear-muffin-tin-orbital calculations of the magnetic properties of rare-earth-transition-metal intermetallics. I. Description of the formalism and application to the series RCo5 (R=rare-earth atom). , 1996, Physical review. B, Condensed matter.

[9]  Blöchl,et al.  Projector augmented-wave method. , 1994, Physical review. B, Condensed matter.

[10]  Novák,et al.  Calculation of crystal-field parameters in the RNi5 (R=rare earth) system. , 1994, Physical review. B, Condensed matter.

[11]  S. Asano,et al.  Theoretical Calculation of the Crystal Field Parameters of GdCo5, GdFe12, GdFe12N, Gd2Fe17, and Gd2Fe17N3 Compounds , 1994 .

[12]  Johansson,et al.  Calculated crystal-field parameters of SmCo5. , 1992, Physical review. B, Condensed matter.

[13]  J. Cadogan,et al.  Determination of the leading crystal-field parameter A20 in NdFe11TiN1−δ compounds , 1992 .

[14]  M. Schuurmans,et al.  Magnetocrystalline anisotropy of RECo5 compounds , 1992 .

[15]  Baisheng Zhang,et al.  Magnetic and crystallographic properties of novel Fe‐rich rare‐earth nitrides of the type RTiFe11N1−δ (invited) , 1991 .

[16]  Yingchang Yang,et al.  NEW POTENTIAL HARD MAGNETIC MATERIAL-NDTIFE11NX , 1991 .

[17]  Yingchang Yang,et al.  Neutron diffraction study of the nitride YTiFe11Nx , 1991 .

[18]  J. Coey,et al.  Intrinsic magnetic properties of the iron-rich ThMn12-structure alloys R(Fe11Ti); R=Y, Nd, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu , 1989 .

[19]  R. Osugi,et al.  Identification of the intermetallic compound consisting of Sm, Ti, Fe , 1988 .

[20]  D. B. D. Mooij,et al.  Some novel ternary ThMn12-type compounds , 1988 .

[21]  R. Osugi,et al.  The magnetic and structural properties of R-Ti-Fe ternary compounds , 1987 .

[22]  V. L. Moruzzi,et al.  Generalized Slater-Pauling curve for transition-metal magnets , 1983 .

[23]  I. Felner,et al.  Ferrimagnetism and hyperfine interactions in RFe5Al7(R = rare earth) , 1983 .

[24]  I. Felner,et al.  Magnetic order and hyperfine interactions in RFe6Al6 (R = rare earth) , 1981 .

[25]  I. Felner Crystal structures of ternary rare earth-3d transition metal compounds of the RT6Al6 type , 1980 .

[26]  G. Hoffer,et al.  Magnetocrystalline anisotropy of YCo 5 and Y 2 Co 17 , 1966 .

[27]  W. Kohn,et al.  Self-Consistent Equations Including Exchange and Correlation Effects , 1965 .

[28]  P. Hohenberg,et al.  Inhomogeneous Electron Gas , 1964 .