1ST-PRINCIPLES ELECTRONIC-STRUCTURE APPROACH FOR PHASE-DIAGRAMS OF BINARY-ALLOYS

被引:23
作者
PODLOUCKY, R
JANSEN, HJF
GUO, XQ
FREEMAN, AJ
机构
[1] NORTHWESTERN UNIV,DEPT PHYS & ASTRON,EVANSTON,IL 60201
[2] OREGON STATE UNIV,DEPT PHYS,CORVALLIS,OR 97331
来源
PHYSICAL REVIEW B | 1988年 / 37卷 / 10期
关键词
D O I
10.1103/PhysRevB.37.5478
中图分类号
T [工业技术];
学科分类号
08 ;
摘要
引用
收藏
页码:5478 / 5482
页数:5
相关论文
共 25 条
[1]   SELF-CONSISTENT ELECTRONIC-STRUCTURE OF THE INTERMETALLIC COMPOUND LIAL [J].
ASADA, T ;
JARLBORG, T ;
FREEMAN, AJ .
PHYSICAL REVIEW B, 1981, 24 (02) :510-516
[2]  
AXON HJ, 1947, P R SOC LONDON A, V190, P102
[3]  
BUTLER WH, 1970, J RES NBS A, V71, P443
[4]   UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].
CAR, R ;
PARRINELLO, M .
PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474
[5]   STRUCTURAL PHASE-STABILITY OF B2 AND B32 INTERMETALLIC COMPOUNDS [J].
CHRISTENSEN, NE .
PHYSICAL REVIEW B, 1985, 32 (01) :207-228
[6]   DETERMINATION OF DELTA' COHERENT MISCIBILITY GAP IN AL-LI SYSTEM BY SMALL-ANGLE X-RAY-SCATTERING [J].
COCCO, G ;
FAGHERAZZI, G ;
SCHIFFINI, L .
JOURNAL OF APPLIED CRYSTALLOGRAPHY, 1977, 10 (AUG1) :325-327
[7]   DENSITY-FUNCTIONAL THEORY APPLIED TO PHASE-TRANSFORMATIONS IN TRANSITION-METAL ALLOYS [J].
CONNOLLY, JWD ;
WILLIAMS, AR .
PHYSICAL REVIEW B, 1983, 27 (08) :5169-5172
[8]  
De Fontaine D., 1983, Alloy Phase Diagrams. Proceedings of a Symposium, P149
[9]  
FOILES SM, 1987, J MAT RES, V2, P9
[10]   LOCAL-ENVIRONMENT FLUCTUATIONS AND DENSITIES OF STATES IN SUBSTITUTIONALLY DISORDERED ALLOYS [J].
GONIS, A ;
STOCKS, GM ;
BUTLER, WH ;
WINTER, H .
PHYSICAL REVIEW B, 1984, 29 (02) :555-567