First-principles investigation of thermal point defects in B2NiAl

被引:29
作者
Lozovoi, AY [1 ]
Ponomarev, KV
Vekilov, YK
Korzhavyi, PA
Abrikosov, IA
机构
[1] Moscow Steel & Alloys Inst, Moscow 117936, Russia
[2] Univ Uppsala, S-75121 Uppsala, Sweden
基金
俄罗斯基础研究基金会;
关键词
D O I
10.1134/1.1131039
中图分类号
O469 [凝聚态物理学];
学科分类号
070205 ;
摘要
The equilibrium concentrations of thermal defects are calculated in the mean-field approximation for the configurational entropy. The stable configurations of point defects in NiAl are discussed. (C) 1999 American Institute of Physics. [S1063-7834(99)02009-2].
引用
收藏
页码:1494 / 1499
页数:6
相关论文
共 26 条
  • [1] Order-N Green's function technique for local environment effects in alloys
    Abrikosov, IA
    Niklasson, AMN
    Simak, SI
    Johansson, B
    Ruban, AV
    Skriver, HL
    [J]. PHYSICAL REVIEW LETTERS, 1996, 76 (22) : 4203 - 4206
  • [2] Locally self-consistent Green's function approach to the electronic structure problem
    Abrikosov, IA
    Simak, SI
    Johansson, B
    Ruban, AV
    Skriver, HL
    [J]. PHYSICAL REVIEW B, 1997, 56 (15) : 9319 - 9334
  • [3] THE INFLUENCE OF THE ATOMIC-SPHERE APPROXIMATION ON THE CALCULATION OF THE VACANCY FORMATION ENERGY OF LI
    BEUERLE, T
    PAWELLEK, R
    ELSASSER, C
    FAHNLE, M
    [J]. JOURNAL OF PHYSICS-CONDENSED MATTER, 1991, 3 (12) : 1957 - 1959
  • [4] Experimental and theoretical study of the electronic structure of Fe, Co, and Ni aluminides with the B2 structure
    Botton, GA
    Guo, GY
    Temmerman, WM
    Humphreys, CJ
    [J]. PHYSICAL REVIEW B, 1996, 54 (03): : 1682 - 1691
  • [5] ELECTRON-STRUCTURE AND OPTICAL-PROPERTIES OF NI-AL
    EGORUSHKIN, VE
    KULMENTYEV, AI
    RUBIN, PE
    [J]. SOLID STATE COMMUNICATIONS, 1986, 57 (10) : 821 - 823
  • [6] FABEROVICH OV, 1992, PHYSICA B, V182, P267
  • [7] ORIGIN OF ORDERING IN B2-TYPE TRANSITION-METAL ALUMINIDES - COMPARATIVE-STUDY OF THE DEFECT PROPERTIES OF PDAL, NIAL, AND FEAL
    FU, CL
    [J]. PHYSICAL REVIEW B, 1995, 52 (05): : 3151 - 3158
  • [8] EQUILIBRIUM-POINT DEFECTS IN INTERMETALLICS WITH THE B2 STRUCTURE - NIAL AND FEAL
    FU, CL
    YE, YY
    YOO, MH
    HO, KM
    [J]. PHYSICAL REVIEW B, 1993, 48 (09): : 6712 - 6715
  • [9] ELECTRONIC, MAGNETIC AND COHESIVE PROPERTIES OF SOME NICKEL-ALUMINUM COMPOUNDS
    HACKENBRACHT, D
    KUBLER, J
    [J]. JOURNAL OF PHYSICS F-METAL PHYSICS, 1980, 10 (03): : 427 - 440
  • [10] HENIG ET, 1975, Z METALLKD, V66, P98