First-principles study on the magnetic properties of ordered Nd6(Fe,Ga)14 alloys

被引:11
作者
Hyodo, Kazushige [1 ]
Toga, Yuta [2 ]
Sakuma, Akimasa [1 ]
机构
[1] Tohoku Univ, Dept Appl Phys, Aoba Ku, Aoba 6-6-05, Sendai, Miyagi, Japan
[2] Natl Inst Mat Sci, ESICMM, Sengen 1-2-1, Tsukuba, Ibaraki, Japan
关键词
METAMAGNETIC TRANSITION; CRYSTAL-STRUCTURE; ND; HYDROGEN; PHASE;
D O I
10.1063/1.5007723
中图分类号
O59 [应用物理学];
学科分类号
摘要
We studied the stable magnetic structure of ordered Nd6Fe14-xGax (x = 0, 1) alloys, which appears in the grain-boundary phase of Nd-Fe-B permanent magnets, using first-principles techniques. Slight Ga doping (x = 1) was shown to contribute to the stabilization of an anti-ferromagnetic (AF) state, whereas the non-doped case (x = 0) was revealed to favor the ferromagnetic state rather than the AF state with a slight energy difference. Published by AIP Publishing.
引用
收藏
页数:5
相关论文
共 28 条
[1]   A NEW PHASE IN ND2FE14B MAGNETS - CRYSTAL-STRUCTURE AND MAGNETIC-PROPERTIES OF ND6FE13SI [J].
ALLEMAND, J ;
LETANT, A ;
MOREAU, JM ;
NOZIERES, JP ;
DELABATHIE, RP .
JOURNAL OF THE LESS-COMMON METALS, 1990, 166 (01) :73-79
[2]   LINEAR METHODS IN BAND THEORY [J].
ANDERSEN, OK .
PHYSICAL REVIEW B, 1975, 12 (08) :3060-3083
[3]  
Bader R.F.W., 1990, ATOMS MOL QUANTUM TH
[4]   PROJECTOR AUGMENTED-WAVE METHOD [J].
BLOCHL, PE .
PHYSICAL REVIEW B, 1994, 50 (24) :17953-17979
[5]   HYDROGEN-INDUCED METAMAGNETISM IN R(6)FE(13)X COMPOUNDS [J].
COEY, JMD ;
QI, QN ;
KNOCH, KG ;
LEITHEJASPER, A ;
ROGL, P .
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1994, 129 (01) :87-97
[6]   Magnetic properties of R6Fe13-xM1+x compounds and their hydrides [J].
de Groot, CH ;
Buschow, KHJ ;
de Boer, FR .
PHYSICAL REVIEW B, 1998, 57 (18) :11472-11482
[7]  
Doi S., 2017, COMMUNICATION
[8]   First-principles study on stability and magnetism of NdFe11M and NdFe11MN for M = Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn [J].
Harashima, Yosuke ;
Terakura, Kiyoyuki ;
Kino, Hiori ;
Ishibashi, Shoji ;
Miyake, Takashi .
JOURNAL OF APPLIED PHYSICS, 2016, 120 (20)
[9]   CRYSTAL-STRUCTURE, MAGNETISM AND FE-57 MOSSBAUER-SPECTRA OF TERNARY RE6FE11AL3 AND RE6FE13GE COMPOUNDS [J].
HU, BP ;
COEY, JMD ;
KLESNAR, H ;
ROGL, P .
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1992, 117 (1-2) :225-231
[10]   A neutron diffraction and Mossbauer spectral study of the magnetic spin reorientation in Nd6Fe13Si [J].
Isnard, O ;
Long, GJ ;
Hautot, D ;
Buschow, KHJ ;
Grandjean, F .
JOURNAL OF PHYSICS-CONDENSED MATTER, 2002, 14 (47) :12391-12409