Ab initio calculations of elastic and magnetic properties of Fe, Co, Ni, and Cr crystals under isotropic deformation

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 3, 2003, Pages

  Sob M ^a   Cerny M ^a   Pokluda, J ^a   Sandera P ^a   Friak M ^b  

^a BRNO UNIVERSITY OF TECHNOLOGY   (Czech Republic)

^b INSTITUTE OF PHYSICS OF MATERIALS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 85038340095     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.035116     Document Type: Article

References (46)

1. A. Kelly and N. H. Macmillan, Strong Solids (Clarendon Press, Oxford, 1986).
2. J. Pokluda and P. Šandera, Phys. Status Solidi B167, 543 (1991).
3. J. Pokluda and P. Šandera, Phys. Status Solidi B160, 89 (1990).
4. P. Šandera, J. Pokluda, L G. Wang, and M. Šob, Mater. Sci. Eng., A234-236, 370 (1997).
5. M. Černý, P. Šandera, and J. Pokluda, Czech. J. Phys.49, 1495 (1999).
6. Y. Song, R. Yang, and D. Li, Phys. Rev. B59, 14 220 (1999).
7. D J. Singh and J. Ashkenazi, Phys. Rev. B46, 11 570 (1992).
8. B I. Min, T. Oguchi, and A J. Freeman, Phys. Rev. B33, 7852 (1986).
9. T C. Leung, C T. Chan, and B N. Harmon, Phys. Rev. B44, 2923 (1991).
10. J H. Cho and M H. Kang, Phys. Rev. B52, 9159 (1995).
11. Y. Shibutani, G L. Krasko, M. Šob, and S. Yip, Mat. Sci. Res. Int.5, 225 (1999).
12. D J. Singh, W E. Pickett, and H. Krakauer, Phys. Rev. B43, 11 628 (1991).
13. M. Šob, M. Friák, L. G. Wang, and V. Vitek, in Multiscale Modeling of Materials, edited by V. V. Bulatov, T. Diaz de Rubia, R. Phillips, E. Kaxiras, and N. Ghoniem (Materials Research Society, Pittsburg, 1999), Vol. 538, p. 523.
14. A Y. Liu and D J. Singh, Phys. Rev. B47, 8515 (1993).
15. M. Friák, M. Šob, and V. Vitek, in Proceedings of the International Conference JUNIORMAT’01, edited by J. Švejcar (Faculty of Mechanical Engineering, Brno University of Technology, Brno, 2001), p. 117.
16. D M. Clatterbuck, D C. Chrzan, and J J W. Morris, Philos. Mag. Lett.82, 141 (2002).
17. M. Friák, M. Šob, and V. Vitek, Phys. Rev. B63, 052405 (2001).
18. P. Söderlind, J A. Moriarty, and J M. Wills, Phys. Rev. B53, 14 063 (1996).
19. G L. Krasko and G B. Olson, Phys. Rev. B40, 11 536 (1989).
20. O K. Andersen, Phys. Rev. B12, 3060 (1975).
21. G. Krier, O. Jepsen, A. Burkhardt, and O. K. Andersen, TB-LMTO-ASA program, version 4.6, Max-Planck-Institut fur Festkörperforschung, Stuttgart, 1994.
22. O. K. Andersen, O. Jepsen, and M. Šob, in Electronic Band Structure and Its Applications, edited by M. Yussouff (Springer-Verlag, Berlin, 1987), Vol. 40, p. 1.
23. O. K. Andersen, M. Methfessel, C. O. Rodriguez, P. Blöchl, and H. M. Polatoglou, in Atomistic Simulation of Materials—Beyond Pair Potentials, edited by V. Vitek and D. Srolovitz (Plenum Press, New York, 1989), p. 1.
24. M. Šob, L G. Wang, and V. Vitek, Comput. Mater. Sci.8, 100 (1997).
25. U. von Barth and L. Hedin, J. Phys. C5, 1629 (1972).
26. J P. Perdew and Y. Wang, Phys. Rev. B45, 13 244 (1992).
27. V L. Moruzzi and P M. Marcus, Phys. Rev. B42, 8361 (1990).
28. V L. Moruzzi and P M. Marcus, Phys. Rev. B42, 10 322 (1990).
29. J H. Cho and M. Scheffler, Phys. Rev. B53, 10 685 (1996).
30. V. L. Moruzzi, J. F. Janak, and A. R. Williams, Calculated Electronic Properties of Metals (Pergamon Press, New York, 1978).
31. C. Kittel, Introduction to Solid State Physics (Wiley, New York, 1976).
32. G Y. Guo and H H. Wang, Phys. Rev. B62, 5136 (2000).
33. E G. Moroni, G. Kresse, J. Hafner, and J. Furthmüller, Phys. Rev. B56, 15 629 (1997).
34. D. Bagayoko and J. Callaway, Phys. Rev. B28, 5419 (1983).
35. Handbook of Chemistry and Physics, edited by D. R. Lide (CRC Press, Boca Raton, 1995).
36. P. Bagno, O. Jepsen, and O. Gunnarsson, Phys. Rev. B40, 1997 (1989).
37. M. Ekman, B. Sadigh, and K. Einarsdotter, Phys. Rev. B58, 5296 (1998).
38. P. Šandera and J. Pokluda, Metall. Mater. Trans. A32, 180 (1994).
39. Thermodynamics of Crystals, edited by D. C. Wallace (Wiley, New York, 1972).
40. R. Hill and F. Milstein, Phys. Rev. B15, 3087 (1977).
41. F. Milstein and D J. Rasky, Phys. Rev. B54, 7016 (1996).
42. M. Černý, M. Friák, M. Šob, J. Pokluda, and P. Šandera (unpublished).
43. J. Wang, J. Li, S. Yip, S. Phillpot, and D. Wolf, Phys. Rev. B52, 12 627 (1995).
44. S. Yip, J. Li, M. Tang, and J. Wang, Mater. Sci. Eng., A317, 236 (2001).
45. H. Ma, S. Qiu, and P. Marcus, Phys. Rev. B66, 024113 (2002).
46. J. Zhao, D. Maroudas, and F. Milstein, Phys. Rev. B62, 13 799 (2000).