Analysis of the electronic structure of intermetallic compounds, and application to structural defects in B2 phases

Journal of Alloys and Compounds

Volumn 308, Issue 1-2, 2000, Pages 1-14

  Bornsen N ^a   Bester, G ^a   Meyer, B ^a   Fahnle M ^a  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; COBALT ALLOYS; ELECTRONIC STRUCTURE; INTERMETALLICS; IRON ALLOYS; NICKEL ALLOYS;

AB-INITIO ELECTRON THEORY;

ALUMINUM ALLOYS;

EID: 0034246450     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0925-8388(00)00984-1     Document Type: Article

References (23)

1. Sauthoff G. Intermetallics. 1995;VCH Verlagsgesellschaft, Weinheim.
2. Bester G., Meyer B., Fähnle M. Phys. Rev. B. 60:1999;14492.
3. Fu C.L. Phys. Rev. B. 52:1995;3151.
4. Hume-Rothery W. The Metallic State. 1931;Oxford University Press, New York.
5. Heumann T. Diffusion in Metallen. 1992;Springer, Berlin. Chapter 7.2.
6. Schultz P.A., Davenport J.W. J. Alloys Comp. 197:1993;229.
7. Muller D.A., Singh O.J., Silcox J. Phys. Rev. B. 57:1998;8181.
8. Mayer J., Fähnle M. Defect Diffusion Forum. 143-147:1997;285.
9. Kohn W., Sham L.J. Phys. Rev. 140:1965;A1133.
10. Börnsen N., Meyer B., Grotheer O., Fähnle M. J. Phys.: Condens. Matter. 11:1999;L287.
11. Sutton A.P., Finnis M.W., Pettifor D.G., Ohta Y. J. Phys. C: Solid State Phys. 21:1988;35.
12. Mulliken R.S. J. Chem. Phys. 23:1955;1833.
13. Harris J. Phys. Rev. B. 31:1985;1770.
14. Keefe M.O., Spence J.C.H. Acta Crystallogr. A. 50:1994;33.
15. Andersen O.K., Jepsen O. Phys. Rev. Lett. 53:1984;2571.
16. Andersen O.K., Jepsen O., Šob M. Yussouff M. Electronic Band Structure and its Applications. Lecture Notes in Physics. Vol. 238:1987;Springer, Berlin.
17. Andersen O.K. Phys. Rev. B. 12:1975;3060.
18. B. Meyer, C. Elsässer, M. Fähnle, FORTRAN 90 Program for Mixed-basis Pseudopotential Calculations for Crystals, Max-Planck-Institut für Metallforschung, Stuttgart, Unpublished.
19. Sanchez-Portal D., Artacho E., Soler J.M. Solid State Commun. 95:1995;685.
20. Sanchez-Portal D., Artacho E., Soler J.M. J. Phys.: Condens. Matter. 8:1996;3859.
21. Mayer J., Elsässer C., Fähnle M. Phys. Stat. Sol. B. 191:1995;283.
22. Meyer B., Fähnle M. Phys. Rev. B. 59:1999;6072.
23. Rice J.R., Thomson R.M. Phil. Mag. 29:1974;73.