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

[21] MSSBAUER EFFECT STUDY OF MAGNETIC INTERACTIONS IN Eu(Fe0.8M0.2)O3 （M=Sc, Cr, Mn, Co）
刘学武
金明芝
张卫星
刘密兰
苏文辉
NuclearScienceandTechniques, 1992, (02) : 154 - 158
[22] The geometric, electronic, and magnetic properties of Ag5X+ (X=Sc, Ti, V, Cr, Mn, Fe, Co, and Ni) clusters
Janssens, Ewald
Hou, Xin Juan
Nguyen, Minh Tho
Lievens, Peter
JOURNAL OF CHEMICAL PHYSICS, 2006, 124 (18):
[23] The geometric, optical, and magnetic properties of the endohedral stannaspherenes M @ Sn12 (M = Ti, V, Cr, Mn, Fe, Co, Ni)
Chen, Xuan
Deng, Kaiming
Liu, Yuzhen
Tang, Chunmei
Yuan, Yongbo
Tan, Weishi
Wang, Xin
JOURNAL OF CHEMICAL PHYSICS, 2008, 129 (09):
[24] First-principles study of electronic structure and magnetic properties of SrTi1-x M x O3 (M = Cr, Mn, Fe, Co, or Ni)
Dong, Xin-Long
Zhang, Kun-Hua
Xu, Ming-Xiang
FRONTIERS OF PHYSICS, 2018, 13 (05)
[25] DENSITY-FUNCTIONAL DESCRIPTION OF THE ELECTRONIC-STRUCTURE OF LAMO(3) (M=SC,TI,V,CR,MN,FE,CO,NI)
PARI, G
JAYA, SM
SUBRAMONIAM, G
ASOKAMANI, R
PHYSICAL REVIEW B, 1995, 51 (23): : 16575 - 16581
[26] Ferroelectric property of (Ba,Bi)(Ti,M)O3 (M; Cu, Mn, Al, Fe, In, Y, Yb) ceramics
Shiroki, K.
Kumada, N.
Ogiso, H.
Yonesaki, Y.
Takei, T.
Kinomura, N.
Wada, S.
3RD INTERNATIONAL CONGRESS ON CERAMICS (ICC3): ADVANCES IN ELECTRO CERAMICS, 2011, 18
[27] Synthesis and magnetic properties of M0.08Ti0.91V0.09O2 + δ · nH2O (M = Cr, Mn, Fe, Co, Ni) nanopowders
G. S. Zakharova
V. L. Volkov
M. A. Uimin
A. A. Mysik
A. E. Ermakov
Inorganic Materials, 2010, 46 : 1115 - 1120
[28] Synthesis and magnetic properties of M0.08Ti0.91V0.09O2+δ • nH2O (M = Cr, Mn, Fe, Co, Ni) nanopowders
Zakharova, G. S.
Volkov, V. L.
Uimin, M. A.
Mysik, A. A.
Ermakov, A. E.
INORGANIC MATERIALS, 2010, 46 (10) : 1115 - 1120
[29] The reactivity of CO on bimetallic Ni3M clusters (M = Sc, Ti, V, Cr, Mn, Fe, Co, Cu, Rh, Ru, Ag, Pd and Pt) by density functional theory
Roy, Ghanashyam
Chattopadhyay, Asoke Prasun
NEW JOURNAL OF CHEMISTRY, 2019, 43 (28) : 11363 - 11373
[30] The magnetic properties of Bi0.9Ba0.1Fe0.81M0.09Ti0.1O3 solid solutions (M = Co, Mn, Sc, Al)
Shi, Chenyang
Hao, Yongmei
Tan, Yanqing
Song, Rui
MATERIALS RESEARCH BULLETIN, 2011, 46 (11) : 1848 - 1852

← 1 2 3 4 5 →