Ab initio calculation of X-ray magnetic circular dichroism spectra

被引：0
|
作者：
Takahashi, M
Igarashi, J
机构：
[1] Gunma Univ, Fac Engn, Gunma 3768515, Japan
[2] Japan Atom Energy Res Inst, Synchrotron Radiat Res Ctr, Sayo, Hyogo 6795148, Japan
来源：
JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS | 2004年 / 272卷
关键词：
X-ray magnetic circular dichroism; X-ray absorption spectroscopy; K-edge absorption;
D O I：
10.1016/j.jmmm.2003.12.422
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
X-ray magnetic circular dichroism spectra at the K edge of Mn in the ferromagnetic phases of Mn3GaC and Mn3ZnC are calculated by taking account of the spin-orbit interaction (SOI) in the LDA scheme. The calculated spectra show excellent agreement with the recent experiment, demonstrating that they arise from the p orbital polarization. We make clear the mechanism of its induction by selectively turning off the SOI on specified states. (C) 2003 Elsevier B.V. All rights reserved.
引用
收藏
页码：477 / 478
页数：2
相关论文
共 50 条
  • [11] Ab-initio study of X-ray absorption and X-ray magnetic circular dichroism spectra of Mn2PtGa and Co2PtGa alloys
    Roy, Tufan
    Banerjee, Arup
    Dutt, Rajeev
    Nayak, J.
    Maniraj, M.
    Barman, S. R.
    Chakrabarti, Aparna
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2018, 466 : 143 - 149
  • [12] Theoretical calculation of x-ray magnetic circular dichroism spectra for Gd/Cu multilayers at the CuK edge
    Minár, J
    Perlov, A
    Ebert, H
    Hashizume, H
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2005, 17 (37) : 5785 - 5794
  • [13] X-ray microscopy with X-ray Magnetic Circular Dichroism
    Fischer, P
    Schutz, G
    Schmahl, G
    Guttmann, P
    Raasch, D
    JOURNAL DE PHYSIQUE IV, 1997, 7 (C2): : 467 - 468
  • [14] Electronic structure and x-ray magnetic circular dichroism of Sr2FeMoO6:: Ab initio calculations
    Kanchana, V.
    Vaitheeswaran, G.
    Alouani, M.
    Delin, A.
    PHYSICAL REVIEW B, 2007, 75 (22)
  • [15] X-ray magnetic circular dichroism in quasicrystals
    Watanabe, Y
    Tamura, J
    Shoji, H
    Nanao, S
    Nakamura, T
    Yokoyama, Y
    MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING, 2000, 294 : 617 - 620
  • [16] X-RAY MAGNETIC CIRCULAR DICHROISM FOR TRANSPARENT
    Sasaki, S.
    Shimizu, N.
    Hanashima, T.
    Yamawaki, K.
    Udagawa, H.
    Kawamura, N.
    Suzuki, M.
    Maruyama, H.
    Matsumoto, Y.
    Koinuma, H.
    ACTA CRYSTALLOGRAPHICA A-FOUNDATION AND ADVANCES, 2002, 58 : C350 - C350
  • [17] On the Calculation of an X-Ray Natural Circular Dichroism Signal
    Oreshko, A. P.
    Ovchinnikova, E. N.
    Kozlovskaya, K. A.
    Dmitrienko, V. E.
    MOSCOW UNIVERSITY PHYSICS BULLETIN, 2018, 73 (03) : 314 - 324
  • [18] Ab initio determinations of magnetic circular dichroism
    Coriani, S
    Jorgensen, P
    Rizzo, A
    Ruud, K
    Olsen, J
    CHEMICAL PHYSICS LETTERS, 1999, 300 (1-2) : 61 - 68
  • [19] On the Calculation of an X-Ray Natural Circular Dichroism Signal
    A. P. Oreshko
    E. N. Ovchinnikova
    K. A. Kozlovskaya
    V. E. Dmitrienko
    Moscow University Physics Bulletin, 2018, 73 : 314 - 324
  • [20] TOWARDS AB INITIO CALCULATION OF THE CIRCULAR DICHROISM OF PEPTIDES
    Molteni, E.
    Onida, G.
    Tiana, G.
    EPIOPTICS-11: PROCEEDINGS OF THE 49TH COURSE OF THE INTERNATIONAL SCHOOL OF SOLID STATE PHYSICS, 2012, 32 : 107 - 113
12345