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
收藏
相关论文
共 50 条
  • [31] Magnetic properties of doped {La0.67Ba0.33}{Mn1-yAy}O3, A = Fe, Cr
    Osthover, C
    Grunberg, P
    Arons, RR
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 1998, 177 : 854 - 855
  • [32] Magnetic properties of doped {La0.67Ba0.33} {Mn1-yAy}O3, A = Fe, Cr
    Osthoever, C.
    Gruenberg, P.
    Arons, R.R.
    Journal of Magnetism and Magnetic Materials, 1998, 177-181 (Pt 2): : 854 - 855
  • [33] On an electronic pairing mechanism in oxide superconductors of the YBa2(Cu1-xMx)3 O7-y Type ( M = Ti, Cr, Mn, Fe, Co, Ni, Zn)
    Kasperczyk, Jacek
    Piasecki, Michal
    Bak, Zygmunt
    Physica C: Superconductivity and its Applications, 1988, 153-55 (01): : 215 - 216
  • [34] Structural, electronic, and magnetic properties of TMZn11O12 and TM2Zn10O12 clusters (TM = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu)
    Chen, Qian
    Wang, Jinlan
    CHEMICAL PHYSICS LETTERS, 2009, 474 (4-6) : 336 - 341
  • [35] Density functional theory study of Mo-doped M@(BN)48 (M = Sc, Ti, V, Cr, Mn, Fe, Co, Ni, and Cu) clusters
    Liang, Wenjuan
    Jia, Jianfeng
    Lv, Jin
    Wu, Haishun
    JOURNAL OF MOLECULAR STRUCTURE, 2016, 1108 : 92 - 95
  • [36] Magnetic properties of Mn1-xMxBe2 (M=Co, Ni, Cu) and MnBe2-xMx (M = Cu, B, Al)
    Nagata, Y. (ynag@ee.aoyama.ac.jp), 1600, Elsevier Ltd (343): : 1 - 2
  • [37] Magnetic properties of Mn1-xMxBe2 (M = Co, Ni, Cu) and MnBe2-xMx (M = Cu, B, Al)
    Samata, H
    Abe, S
    Taniguchi, T
    Nagata, Y
    JOURNAL OF ALLOYS AND COMPOUNDS, 2002, 343 (1-2) : 47 - 52
  • [38] Structure and magnetic properties of Er3(Fe, Co, M)29 compounds (M = Cr, V, Ti, Mn, Ga, Nb)
    Luo, HZ
    Jia, L
    Li, YX
    Meng, FB
    Shen, J
    Chen, NX
    Wu, GH
    Yang, FM
    ACTA PHYSICA SINICA, 2005, 54 (11) : 5246 - 5250
  • [39] First-Principles Study of Structure, Magnetic Properties, and Stability of η-Carbides (M,Fe)3W3C (M = Ti, V, Cr, Mn, Co, and Ni)
    Suetin, Dmitrii V.
    Medvedeva, Nadezhda I.
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2019, 256 (12):
  • [40] OPTICAL STUDY OF ELECTRONIC-STRUCTURE IN PEROVSKITE-TYPE RMO(3) (R=LA, Y M=SC, TI, V, CR, MN, FE, CO, NI, CU)
    ARIMA, TH
    TOKURA, Y
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 1995, 64 (07) : 2488 - 2501
12345