Electronic structure calculations in ordered and disordered solids with spiral magnetic order

被引：9
作者：
Mankovsky, S. [1 ]
Fecher, G. H. [2 ]
Ebert, H. [1 ]
机构：
[1] Univ Munich, Dept Chem, D-81377 Munich, Germany
[2] Johannes Gutenberg Univ Mainz, Inst Anorgan Chem & Analyt Chem, D-55099 Mainz, Germany
来源：
PHYSICAL REVIEW B | 2011年 / 83卷 / 14期
关键词：
SPIN SUSCEPTIBILITY CALCULATIONS; BAND-STRUCTURE CALCULATIONS; NONCOLLINEAR MAGNETISM; EXCHANGE INTERACTIONS; TRANSITION-METALS; ALLOYS; FE; NI; FLUCTUATIONS; TEMPERATURE;
D O I：
10.1103/PhysRevB.83.144401
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
A scheme to calculate the electronic structure of systems having a spiral magnetic structure is presented. The approach is based on the Korringa-Kohn-Rostoker Green's function formalism which allows, in combination with the coherent potential approximation alloy theory, dealing with chemically disordered materials. It is applied to the magnetic random alloys FexNi1-x, FexCo1-x, and FexMn1-x. For these systems the stability of their magnetic structure was analyzed. For FexNi1-x the spin stiffness for was determined as a function of concentration that was found in satisfying agreement with experiment. Performing spin spiral calculations the longitudinal momentum-dependent magnetic susceptibility was calculated for pure elemental systems (Cr, Ni) in the nonmagnetic state as well as for random alloys (AgxPt1-x). The obtained susceptibility was used to analyze the stability of the paramagnetic state of these systems.
引用
收藏
页数：9
相关论文
共 50 条
  • [41] Electronic structure of diluted magnetic semiconductors and their superlattices
    Akai, H
    Kamatani, T
    Watanabe, S
    JOURNAL OF THE PHYSICAL SOCIETY OF JAPAN, 2000, 69 : 119 - 124
  • [42] Electronic structure and magnetism of IV-VI compound based magnetic semiconductors
    Sato, K.
    Katayama-Yoshida, H.
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2012, 358 (17) : 2377 - 2380
  • [43] Correlation effects in magnetic materials: An ab initio investigation on electronic structure and spectroscopy
    Minar, J.
    Braun, J.
    Ebert, H.
    JOURNAL OF ELECTRON SPECTROSCOPY AND RELATED PHENOMENA, 2013, 189 : 129 - 136
  • [44] Structural, vibrational, and thermodynamic properties of ordered and disordered Ni1-xPtx alloys from first-principles calculations
    Shang, S. L.
    Wang, Y.
    Kim, D. E.
    Zacherl, C. L.
    Du, Y.
    Liu, Z. K.
    PHYSICAL REVIEW B, 2011, 83 (14):
  • [45] Ordered and disordered phases in CaCu5-type derived structures: Dumbbell cluster modeling with first-principles calculations
    Kuroda, Fumiaki
    Fukazawa, Taro
    Miyake, Takashi
    PHYSICAL REVIEW MATERIALS, 2021, 5 (12)
  • [46] Electronic structure of PdAg(100) ordered surface alloys using synchrotron radiation
    Medicherla, V. R. R.
    Drube, W.
    APPLIED SURFACE SCIENCE, 2009, 256 (02) : 376 - 379
  • [47] Ab initio calculations of electronic band structure of ideal and defective CdMnS
    Mehrabova, Matanat A.
    Panahov, Natig T.
    Hasanov, Niyazi H.
    MATERIALS PHYSICS AND MECHANICS, 2022, 48 (03): : 419 - 427
  • [48] Density functional calculations of the electronic structure and optical properties of magnesium oxide
    Liu, Zi-Jiang
    Du, Ying-Xue
    Zhang, Xiu-Lu
    Qi, Jian-Hong
    Tian, Li-Na
    Guo, Yuan
    PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS, 2010, 247 (01): : 157 - 162
  • [49] First-principles calculations of the magnetic and electronic structures of MnP under pressure
    Xu, Yuanji
    Liu, Min
    Zheng, Ping
    Chen, Xiangrong
    Cheng, Jin-guang
    Luo, Jianlin
    Xie, Wenhui
    Yang, Yi-feng
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2017, 29 (24)
  • [50] Skyrmion magnetic structure of an ordered FePt monolayer deposited on Pt(111)
    Polesya, S.
    Mankovsky, S.
    Bornemann, S.
    Koedderitzsch, D.
    Minar, J.
    Ebert, H.
    PHYSICAL REVIEW B, 2014, 89 (18)
12345