Theoretical prediction of magnetic properties of Ba(Ti1-xMx)O3 (M=Sc,V,Cr,Mn,Fe,Co,Ni,Cu)

被引：0

作者：

Nakayama, Hiroyuki ^{[1
,2
]}

Katayama-Yoshida, Hiroshi ^{[1
,2
]}

机构：

[1] Japan Synchrotron Radiation Research Institute (JASRI), 1-1 Kouto, Mikazuki, Hyogo 679-5198, Japan

[2] Department of Condensed Matter Physics, Institute of Scientific and Industrial Reserach (ISIR), Osaka University, 8-1 Mihogaoka, Ibaraki, Osaka 567-0047, Japan

来源：

Japanese Journal of Applied Physics, Part 2: Letters | 2001年 / 40卷 / 12 B期

关键词：

Antiferromagnetism - Approximation theory - Electron energy levels - Ferromagnetism - Magnetization - Semiconductor doping - Transition metal compounds;

D O I：

10.1143/jjap.40.l1355

中图分类号：

学科分类号：

摘要：

We have performed ab-initio total energy calculations for the system of BaTiO3 doped with 3d transition metal (from Sc to Cu), within the framework of the local spin-density approximation (LSDA). Total energies corresponding to the nonmagnetic, ferromagnetic, and anti-ferromagnetic configurations of the magnetic ordering were calculated to examine the magnetic stability. The results predict that the Cr-, Mn-, and Fe-doped BaTiO3 are candidates for ferromagnetic fabrication. Above all, Mn-doped BaTiO3 is the most promising, although carrier doping is necessary.

引用

共 50 条

[41] SUPERCONDUCTING AND MAGNETIC-PROPERTIES OF MATERIALS WITH VARYING CLUSTERING IN YBA2 (CU1-XMX)3O] WITH M = FE, CO, NI
KO, DG
LEE, JY
OBRIEN, J
OESTERREICHER, H
TAYLOR, RD
APPLIED SUPERCONDUCTIVITY, 1993, 1 (7-9) : 1099 - 1102
[42] Geometry and electronic and magnetic properties of MPd12 clusters (M=Ti, V, Cr, Mn, Fe, Co, Ni, Cu, Zn, and Pd) from first principles
Nigam, Sandeep
Majumder, Chiranjib
Kulshreshtha, S. K.
PHYSICAL REVIEW B, 2007, 76 (19)
[43] Composition-driven phase boundary and electrical properties in (Ba0.94Ca0.06)(Ti1-xMx)O3 (M = Sn, Hf, Zr) lead-free ceramics
Zhao, Chunlin
Wang, Hui
Xiong, Jie
Wu, Jiagang
DALTON TRANSACTIONS, 2016, 45 (15) : 6466 - 6480
[44] Crystal structures and proton transport properties of Sr2(Ti1-xMx)O4-δ (M = Fe, Al)
Yagi, Yutaro
Kagomiya, Isao
Kakimoto, Ken-ichi
SOLID STATE SCIENCES, 2020, 108
[45] Photoemission study of (V1-xMx)2O3 (M=Cr,Ti)
Mo, S. -K.
Kim, H. -D.
Denlinger, J. D.
Allen, J. W.
Park, J. -H.
Sekiyama, A.
Yamasaki, A.
Suga, S.
Saitoh, Y.
Muro, T.
Metcalf, P.
PHYSICAL REVIEW B, 2006, 74 (16):
[46] MAGNETIC-PROPERTIES OF SM2(FE1-XMX)17NY NITRIDES (M = CO, NI, AL, TI, V)
HU, BP
RAO, XL
XU, JM
LIU, GC
CAO, F
DONG, XL
LI, H
YIN, L
ZHAO, ZR
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1992, 114 (1-2) : 138 - 144
[47] Ti-Cr-Mn-M(M=V、Fe、Ni、Cu)合金的储氢性能
葛红卫
王新华
张琰
李慧
陈立新
李寿权
严密
陈长聘
功能材料, 2009, 40 (03) : 420 - 423
[48] MAGNETIC-PROPERTIES OF GD2FE14-XMX COMPOUNDS WITH M=NI, SI, CU OR V M
BURZO, E
LAFOREST, J
PLUGARU, N
VALEANU, M
STANCIU, L
IEEE TRANSACTIONS ON MAGNETICS, 1994, 30 (02) : 625 - 627
[49] Magnetic properties of Nb(Fe1-xTx)2 with T=V, Cr, Mn, Co and Ni
Yamada, Y.
Moru, R.
Hirano, K.
Hirotsuji, T.
Obara, G.
Nakamura, T.
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2007, 310 (02) : 1812 - 1814
[50] Magnetic Properties of Ta(Fe1-xT)2 with T=V, Cr, Mn, Co and Ni
Horie, Yuki
Kawashima, Shun-ichi
Yamada, Yoshihiro
Obara, Gaku
Nakamura, Tatsuya
INTERNATIONAL CONFERENCE ON MAGNETISM (ICM 2009), 2010, 200

← 1 2 3 4 5 →