Surface structures and magnetic anisotropies of a Fe/Pt (001) surface: An ab initio study

被引：5
|
作者：
Lee, Eung-Kwan [1 ]
Choi, Heechae [1 ]
Hwang, Yubin [1 ]
Chung, Yong-Chae [1 ]
机构：
[1] Hanyang Univ, Dept Mat Sci & Engn, Seoul 133791, South Korea
来源：
JOURNAL OF APPLIED PHYSICS | 2011年 / 109卷 / 07期
关键词：
EXCHANGE; ATOMS; FEPT;
D O I：
10.1063/1.3565192
中图分类号：
O59 [应用物理学];
学科分类号：
摘要：
Using ab initio calculations, we obtained the surface phase diagram of a Fe/Pt(001) surface and the magnetic anisotropy energies of the equilibrium Fe/Pt(001) surface structures. From the obtained surface phase diagram, Fe-rich L1(2) B and perpendicular L1(0) B were found to be the most stable Fe-Pt surface phases. The calculated magnetic anisotropy energies of the Fe-rich L1(2) B and perpendicular L1(0) B Fe/Pt(001) structures revealed that the magnetic easy axes of the surface structures prefer to align in the [001] direction. Through systematic calculations, we showed that the magnetic anisotropy reduction in Fe/Pt(001) originates from the changed electron filling in the 3d(z2) orbital of Fe atoms due to the surface formation. (C) 2011 American Institute of Physics. [doi:10.1063/1.3565192]
引用
收藏
页数：3
相关论文
共 50 条
  • [1] Ab initio study of metastable structures on a hydrogenated Si(001) surface
    Muramatsu, S
    Hirao, M
    JAPANESE JOURNAL OF APPLIED PHYSICS PART 2-LETTERS, 2002, 41 (2B): : L171 - L173
  • [2] Ab initio study of metastable structures on a hydrogenated Si(001) surface
    Dept. of Chemical System Engineering, School of Engineering, University of Tokyo, 7-3-1 Hongo, Bunkyo-ku, Tokyo 113-8656, Japan
    Jpn J Appl Phys Part 2 Letter, 1600, 2 B (L171-L173):
  • [3] Magnetic states for V(001) bcc surface: An ab initio study
    Felix-Medina, R. E.
    Leyva-Lucero, M. A.
    Meza-Aguilar, S.
    JOURNAL OF APPLIED PHYSICS, 2009, 105 (07)
  • [4] An ab initio cluster study of the, magnetic properties of the CoO(001) surface
    Staemmler, V
    Fink, K
    CHEMICAL PHYSICS, 2002, 278 (2-3) : 79 - 87
  • [5] Ab initio Study of LuN (001) Surface
    Winiarski, M. J.
    ACTA PHYSICA POLONICA A, 2023, 144 (01) : 3 - 6
  • [6] Ab initio Investigation of Pt Dimers on Cu(001) Surface
    Pal, George
    Lefkidis, Georgios
    Huebner, Wolfgang
    JOURNAL OF PHYSICAL CHEMISTRY A, 2009, 113 (44): : 12071 - 12078
  • [7] An ab initio study of the magnetic and electronic properties of Fe, Co, and Ni nanowires on Cu(001) surface
    Tung, J. C.
    Guo, G. Y.
    COMPUTER PHYSICS COMMUNICATIONS, 2011, 182 (01) : 84 - 86
  • [8] Ab initio study of structural and magnetic properties of cubic Fe4N(001) surface
    Shi, Y. J.
    Du, Y. L.
    Chen, G.
    SOLID STATE COMMUNICATIONS, 2012, 152 (16) : 1581 - 1584
  • [9] Ab Initio Molecular Dynamics Study of Fe Adsorption on TiN (001) Surface
    Wang, Chao
    Dai, Yongbing
    Gao, Haiyan
    Ruan, Xiaoming
    Wang, Jun
    Sun, Baode
    MATERIALS TRANSACTIONS, 2010, 51 (11) : 2005 - 2008
  • [10] Surface relaxation of Fe(001) by ab initio molecular dynamics
    Kishi, T
    Itoh, S
    SURFACE SCIENCE, 1996, 357 (1-3) : 186 - 189
12345