First principles calculations of the magnetic properties of Fe-N systems

被引：10
|
作者：
Li, Dan [1 ]
Roh, Jong Wook [1 ]
Jeon, Kye Jin [1 ]
Gu, You Song [2 ]
Lee, Wooyoung [1 ]
机构：
[1] Yonsei Univ, Dept Mat Sci & Engn, Seoul 120749, South Korea
[2] Univ Sci & Technol Beijing, Dept Mat Phys & Chem, Beijing 100083, Peoples R China
来源：
PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS | 2008年 / 245卷 / 11期
关键词：
D O I：
10.1002/pssb.200844090
中图分类号：
O469 [凝聚态物理学];
学科分类号：
070205 ;
摘要：
We report the results of the first principles calculations performed in order to investigate the electronic and magnetic properties of the Fe-N systems and to clarify the origin of giant magnetic moments in Fe-N systems. After geometrical optimization, the densities of states have been evaluated with atom resolved band populations and magnetic moments. By examining Fe-N bond lengths in the Fe-N systems, it was found that there is a linear relationship between Fe-N bond lengths and atomic magnetic moments. Our results demonstrate that the existence of N atoms can affect charge transfer between the 4s, 4p and 3d bands of Fe atoms and is responsible for the change in magnetic moments. (C) 2008 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
引用
收藏
页码：2581 / 2585
页数：5
相关论文
共 50 条
  • [31] Effect of annealing on structure and magnetic properties of Fe-N and Fe-Ti-N thin films
    Wang, HY
    Ma, ZW
    Jiang, EY
    He, YJ
    Huang, HS
    APPLIED PHYSICS A-MATERIALS SCIENCE & PROCESSING, 1999, 68 (05): : 559 - 562
  • [32] Effect of annealing on structure and magnetic properties of Fe-N and Fe-Ti-N thin films
    Department of Physics, Tsinghua University, Beijing, 100084, China
    不详
    Appl Phys A, 5 (559-562):
  • [33] First principles calculations of the magnetic profiles of the Fe-V multilayers
    Le Bacq, O
    Johansson, B
    Eriksson, O
    JOURNAL OF MAGNETISM AND MAGNETIC MATERIALS, 2001, 226 : 1722 - 1724
  • [34] First principles calculations of the magnetic profiles of the Fe-V multilayers
    Le Bacq, O.
    Johansson, B.
    Eriksson, O.
    Journal of Magnetism and Magnetic Materials, 2001, 226-230 (PART II) : 1722 - 1724
  • [35] Fe-N and (Fe, Ni)-N Fine Powders for Magnetic Recording
    Ziyu Chen
    Fashen Li
    Hyperfine Interactions, 1998, 112 : 101 - 106
  • [36] First-principles calculations of magnetic interactions in correlated systems
    Katsnelson, MI
    Lichtenstein, AI
    PHYSICAL REVIEW B, 2000, 61 (13): : 8906 - 8912
  • [37] Fe-N and (Fe, Ni)-N fine powders for magnetic recording
    Chen, ZY
    Li, FS
    HYPERFINE INTERACTIONS, 1998, 112 (1-4): : 101 - 106
  • [38] A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit
    De Waele, Sam
    Lejaeghere, Kurt
    Leunis, Elke
    Duprez, Lode
    Cottenier, Stefaan
    JOURNAL OF ALLOYS AND COMPOUNDS, 2019, 775 : 758 - 768
  • [39] First-principles calculations of structure and magnetic properties of α-Fe( Si ) phase precipitated in the Finemet alloy
    Hu Yu-Ping
    Ping Kai-Bin
    Yan Zhi-Jie
    Yang Wen
    Gong Chang-Wei
    ACTA PHYSICA SINICA, 2011, 60 (10)
  • [40] Structure and magnetic properties of Fe-N thin films grown by ECR deposition
    Németh, S
    Akinaga, H
    Boeve, H
    Bender, H
    De Boeck, J
    Borghs, G
    POLYCRYSTALLINE METAL AND MAGNETIC THIN FILMS, 1999, 562 : 295 - 299
12345