Ab initio based modeling of i-AlPdMn

Physical Review B - Condensed Matter and Materials Physics

Volumn 61, Issue 14, 2000, Pages 9336-9344

  Quandt, Alexander ^a   Elser, Veit ^a  

^a Laboratory of Atomic and Solid State Physics and Sibley School of Mechanical and Aerospace Engineering   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001331398     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.61.9336     Document Type: Article

References (32)

1. M. Boudard, M. de Boissieu, C. Janot, G. Heger, C. Beeli, H.-U. Nissen, H. Vincent, R. Iberson, R. Audier, and J.M. Dubois, J. Phys.: Condens. Matter 4, 10149 (1992).
2. M. de Boissieu, M. Boudard, B. Hennion, R. Bellissent, S. Kycia, A. Goldman, C. Janot, and M. Audier, Phys. Rev. Lett. 75, 89 (1995).
3. M. de Boissieu, P. Stephens, M. Boudard, C. Janot, D.L. Chapman, and M. Audier, Phys. Rev. Lett. 72, 3538 (1994).
4. M. Mihalkovic, W.-J. Zhu, C.L. Henley, and M. Oxborrow, Phys. Rev. B 53, 9002 (1996).
5. E. Cockayne, R. Phillips, X.B. Kan, S.C. Moss, J.L. Robertson, T. Ishimasa, and M. Mori, J. Non-Cryst. Solids 153-154, 140 (1993).
6. E. Cockayne and M. Widom, Phys. Rev. Lett. 81, 598 (1998).
7. M. Krajcí, M. Windisch, J. Hafner, G. Kresse, and M. Mihalkovic, Phys. Rev. B 51, 17 355 (1995).
8. G. Kresse and J. Furthmüller, Comput. Mater. Sci. 6, 15 (1996).
9. G. Kresse and J. Furthmüller, Phys. Rev. B 54, 11 169 (1996).
10. P. Hohenberg and W. Kohn, Phys. Rev. 136, 864 (1964).
11. M.C. Payne, M.P. Teter, D.C. Allan, T. Arias, and J.D. Joannopoulos, Rev. Mod. Phys. 64, 1045 (1992).
12. W. Kohn and L.J. Sham, Phys. Rev. 140, 1133 (1965).
13. M.P. Teter, M.C. Payne, and D.C. Allan, Phys. Rev. B 40, 12 255 (1989).
14. D. Vanderbilt, Phys. Rev. B 41, 7892 (1990).
15. W. H. Press, S. A. Teukolsky, W. T. Vetterling, and B. P. Flannery, Numerical Recipes (Cambridge University Press, New York, 1996).
16. M. Methfessel and A.T. Paxton, Phys. Rev. B 40, 3616 (1989).
17. J. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1982).
18. International Tables for Crystallography, edited by T. Hahn (Kluwer Academic, Dordrecht, 1996).
19. J.P. Simanov, Zh. Fiz. Khim. 27, 1503 (1953).
20. L.E. Edshammar and V. Björnstjerna, Acta Chem. Scand. 17, 1803 (1963).
21. T. Matkovic and K. Schubert, J. Less-Common, J. Less-Common Met. 55, 45 (1977).
22. P.B. Braun and J.A. Goedkoop, Acta Crystallogr. 16, 737 (1963).
23. A. Kontio and P. Coppens, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 37, 433 (1981).
24. M.A. Taylor, Acta Crystallogr. 12, 393 (1959).
25. A. Kontio, E.D. Stevens, P. Coppens, R.D. Brown, A.E. Dwight, and J.M. Williams, Acta Crystallogr., Sect. B: Struct. Crystallogr. Cryst. Chem. 36, 435 (1980).
26. Structure Reports (Index), edited by G. Ferguson (Kluwer Academic, Dordrecht, 1990).
27. E. Raub and W. Mahler, Z. Metallkd. 45, 430 (1954).
28. G. Kadar and E. Kren, Solid State Commun. 11, 933 (1972).
29. V. Elser, Philos. Mag. B 73, 641 (1996).
30. V. Elser, in Proceedings of the 6th International Conference on Quasicrystals, edited by S. Takeuchi and T. Fujiwara (World Scientific, Singapore, 1998), p. 19.
31. A. Katz and D. Gratias, J. Non-Cryst. Solids 153-154, 187 (1993).
32. Z. Papadopolos, P. Kramer, and W. Liebermeister, in Proceedings of the International Conference on Aperiodic Crystals ’97, edited by M. de Boissieu, J. L. Verger-Gaugry, and R. Currat (World Scientific, Singapore, 1998), p. 173.