Effective formation energies of atomic defects in D03-Fe3Al: An ab-initio study

Intermetallics

Volumn 5, Issue 8, 1997, Pages 597-600

  Mayer, J ^a   Meyer, B ^a   Oehrens, J S ^a   Bester, G ^a   Bornsen N ^a   Fahnle M ^a  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

Author keywords

A. iron aluminides (based on Fe3Al); B. defects: point defects; E. ab initio calculations

Indexed keywords

COMPUTATIONAL METHODS; CRYSTAL ATOMIC STRUCTURE; CRYSTAL LATTICES; INTERMETALLICS; POINT DEFECTS; STATISTICAL METHODS;

AB INITIO MIXED BASIS PSEUDOPOTENTIAL METHOD; IRON ALUMINIDE; THERMAL VACANCIES;

IRON ALLOYS;

EID: 0031373957     PISSN: 09669795     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0966-9795(97)00038-1     Document Type: Article

References (14)

1. Mehrer, H., Materials transactions, JIM, 1996, 37, 1259.
2. Vogl, G., Defects and Diffusion Forum, 1997, 143-147, 223.
3. Schaefer, H.-E., Würschum, R., Sob, M., Žák, T., Yu, W. Z., Eckert, W. and Banhart, F., Phys. Rev., 1990, B41, 11869.
4. Mayer, J., Elsässer, C. and Fähnle, M., Phys. stat. sol., 1995, B191, 283.
5. Mayer, J. and Fähnle, M., Defects and Diffusion Forum, 1997, 143-147, 2850.
6. Fu, C. L., Ye, Y. Y., Yoo, M. H. and Ho, K. M., Phys. Rev., 1993, B48, 6712.
7. Wolff, J., Franz, M. and Hehenkamp, Th., Microchimica Acta, 1997, 125.
8. Mayer, J. and Fähnle, M., Acta Materialia, 1997, 45, 2207.
9. Kümmerle, E. A., Badura, K., Sepiol, B., Mehrer, H. R. and Schaefer, H.-E., Phys. Rev., 1995, B52, R6947.
10. Jiráskova, Y., Schneeweiss, O., Šob, M. and Novotný, I., Acta Materialia, 1997, 45, 2147.
11. Andersen, O. K. and Jepsen, O., Phys. Rev. Lett., 1984, 53 2571.
12. Fähnle, M., Hummler, K., Beuerle, T. and Liebs, M., Appl. Phys., 1993, A57, 67.
13. Feldwisch, R., Sepiol, B. and Vogl, G., Acta Metall et Mater., 1995, 43, 2033.
14. Spišak, D. and Mehrer, H., Phys. Stat. Sol., 1995, B190, 363.