Ab initio study of the composite phase diagram of Ni-Mn-Ga shape memory alloys

被引:4
作者
Sokolovskaya, Yu. A. [1 ]
Sokolovskiy, V. V. [1 ,2 ]
Zagrebin, M. A. [1 ,3 ]
Buchelnikov, V. D. [1 ]
Zayak, A. T. [4 ]
机构
[1] Chelyabinsk State Univ, Ul Bratev Kashirinykh 129, Chelyabinsk 454001, Russia
[2] Natl Univ Sci & Technol MISiS, Leninskii Pr 4, Moscow 119991, Russia
[3] Natl Res Univ, South Ural State Univ, Pr Lenina 76, Chelyabinsk 454080, Russia
[4] Bowling Green State Univ, Bowling Green, OH 43403 USA
关键词
NI2MNGA;
D O I
10.1134/S1063776117070111
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
The magnetic and structural properties of a series of nonstoichiometric Ni-Mn-Ga Heusler alloys are theoretically investigated in terms of the density functional theory. Nonstoichiometry is formed in the coherent potential approximation. Concentration dependences of the equilibrium lattice parameter, the bulk modulus, and the total magnetic moment are obtained and projected onto the ternary phase diagram of the alloys. The stable crystalline structures and the magnetic configurations of the austenitic phase are determined.
引用
收藏
页码:104 / 110
页数:7
相关论文
共 11 条
  • [1] BROYDEN CG, 1965, MATH COMPUT, V19, P557
  • [2] Calculating condensed matter properties using the KKR-Green's function method-recent developments and applications
    Ebert, H.
    Koedderitzsch, D.
    Minar, J.
    [J]. REPORTS ON PROGRESS IN PHYSICS, 2011, 74 (09)
  • [3] Ebert H, SPR KKR PACKAGE VERS
  • [4] Simple rules for the understanding of Heusler compounds
    Graf, Tanja
    Felser, Claudia
    Parkin, Stuart S. P.
    [J]. PROGRESS IN SOLID STATE CHEMISTRY, 2011, 39 (01) : 1 - 50
  • [5] Recent developments in the research of shape memory alloys
    Otsuka, K
    Ren, XB
    [J]. INTERMETALLICS, 1999, 7 (05) : 511 - 528
  • [6] Perdew JP, 1997, PHYS REV LETT, V78, P1396, DOI 10.1103/PhysRevLett.77.3865
  • [7] Giant magnetic-field-induced strain in NiMnGa seven-layered martensitic phase
    Sozinov, A
    Likhachev, AA
    Lanska, N
    Ullakko, K
    [J]. APPLIED PHYSICS LETTERS, 2002, 80 (10) : 1746 - 1748
  • [8] Recent research on intelligent materials
    Takagi, T
    [J]. JOURNAL OF INTELLIGENT MATERIAL SYSTEMS AND STRUCTURES, 1996, 7 (03) : 346 - 352
  • [9] Large magnetic-field-induced strains in Ni2MnGa single crystals
    Ullakko, K
    Huang, JK
    Kantner, C
    OHandley, RC
    Kokorin, VV
    [J]. APPLIED PHYSICS LETTERS, 1996, 69 (13) : 1966 - 1968
  • [10] Shape memory ferromagnets
    Vasil'ev, AN
    Buchel'nikov, VD
    Takagi, T
    Khovailo, VV
    Éstrin, ÉI
    [J]. PHYSICS-USPEKHI, 2003, 46 (06) : 559 - 588