Interlayer contraction in MgB2 upon replacement of Mg by Al: Effect of the covalent bond energy

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 9, 2005, Pages

  Bester, Gabriel ^a,b   Fähnle, Manfred ^a  

^a MAX PLANCK INSTITUTE FOR INTELLIGENT SYSTEMS   (Germany)

^b NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644447608     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.094102     Document Type: Article

References (44)

1. P. Hohenberg and W. Kohn, Phys. Rev. PRVBAK 0096-8269 10.1103/PhysRev.136.B864 136, B864 (1964).
2. W. Kohn and L. J. Sham, Phys. Rev. PRVAAH 0096-8250 10.1103/PhysRev.140. A1133 140, A1133 (1965).
3. G. Bester and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/50/313 13, 11541 (2001).
4. J. Nagamatsu, N. Nakagawa, T. Muranaka, Y. Zenitani, and J. Akimitsu, Nature (London) NATUAS 0028-0836 10.1038/35065039 410, 63 (2001).
5. J. Kortus, I. I. Mazin, K. D. Belashchenko, V. P. Antropov, and L. L. Boyer, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4656 86, 4656 (2001).
6. K. D. Belashchenko, M. van Schilfgaarde, and V. P. Antropov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.092503 64, 092503 (2001).
7. J. M. An and W. E. Pickett, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.4366 86, 4366 (2001).
8. E. Z. Kurmaev, I. I. Lyakhovskaya, J. Kortus, N. Miyata, M. Demeter, M. Neumann, M. Yanagihara, A. Moewes, M. Watanabe, T. Muranaka, and J. Akimitsu, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.134509 65, 134509 (2002).
9. P. Ravindran, P. Vajeeston, R. Vidya, A. Kjekshus, and H. Fjellvåg, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.224509 64, 224509 (2002).
10. N. I. Medvedeva, J. E. Medvedeva, A. L. Ivanovskii, V. G. Zubkov, and A. J. Freeman, JETP Lett. JTPLA2 0021-3640 10.1134/1.1378114 73, 336 (2001).
11. Y. Kong, O. V. Dolgov, O. Jepsen, and O. K. Andersen, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.020501 64, 020501 (R) (2001).
12. G. Satta, G. Profeta, F. Bernardini, A. Continenza, and S. Massidda, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.104507 64, 104507 (2001).
13. K.-P. Bohnen, R. Heid, and B. Renker, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.86.5771 86, 5771 (2001).
14. A. L. Ivanovskii, Phys. Solid State PSOSED 1063-7834 10.1134/1.1620085 45, 1829 (2003).
15. J. S. Slusky, N. Rogado, K. A. Regan, M. A. Hayward, P. Khalifah, T. He, K. Inumaru, S. M. Loureiro, M. K. Haas, H. W. Zandbergen, and R. J. Cava, Nature (London) NATUAS 0028-0836 10.1038/35066528 410, 343 (2001).
16. J. Q. Li, L. Li, F. M. Liu, C. Dong, J. Y. Xiang, and Z. X. Zhao, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.65.132505 65, 132505 (2002).
17. J. Karpinski, N. D. Zhigadlo, G. Schuck, S. M. Kazakov, B. Batlogg, K. Rogacki, R. Puzniak, J. Jun, E. Müller, P. Wägli, R. Gonnelli, D. Daghero, G. A. Ummarino, and V. A. Stepanov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.174506 71, 174506 (2005).
18. R. Dronskowski and P. E. Blöchl, J. Phys. Chem. JPCHAX 0022-3654 10.1021/j100135a014 97, 8617 (1993).
19. R. S. Mulliken, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.1740588 23, 1833 (1955).
20. A. P. Sutton, M. W. Finnis, D. G. Pettifor, and Y. Ohta, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/21/1/007 21, 35 (1988).
21. J. Ihm, A. Zunger, and M. L. Cohen, J. Phys. C JPSOAW 0022-3719 10.1088/0022-3719/12/21/009 12, 4409 (1979).
22. T. Hughbanks and R. Hoffmann, J. Am. Chem. Soc. JACSAT 0002-7863 105, 3528 (1983).
23. R. Hoffmann, Angew. Chem., Int. Ed. Engl. ACIEAY 0570-0833 10.1002/anie.198708461 26, 846 (1987).
24. G. Bester and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/13/50/314 13, 11551 (2001).
25. U. Schwingenschlogl, V. Eyert, and U. Eckern, Chem. Phys. Lett. CHPLBC 0009-2614 370, 719 (2003).
26. S. F. Matar and M. Subramanian, Mater. Lett. MLETDJ 0167-577X 58, 746 (2004).
27. S. F. Matar, R. Weihrich, D. Kurowski, and A. Pfitzner, Solid State Sci. SSSCFJ 1293-2558 6, 15 (2004).
28. S. F. Matar, G. Demazeau, and I. Presniakov., Solid State Sci. SSSCFJ 1293-2558 6, 777 (2004).
29. S. F. Matar, B. Chevalier, V. Eyert, and J. Etourneau, Solid State Sci. SSSCFJ 1293-2558 10.1016/S1293-2558(03)00182-1 5, 1385 (2003).
30. V. Eyert, Ann. Phys. ANPYA2 0003-3804 10.1002/1521-3889(200210)11: 9<650::AID-ANDP650>3.0.CO;2-K 11, 650 (2002).
31. S. Matar, M. A. Subramanian, and R. Weihrich, Chem. Phys. CMPHC2 0301-0104 310, 231 (2005).
32. B. Chevalier and S. F. Matar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.174408 70, 174408 (2004).
33. V. Paul-Boncour and S. F. Matar, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.70.184435 70, 184435 (2004).
34. S. F. Matar, Prog. Solid State Chem. PSSTAW 0079-6786 31, 239 (2003).
35. B. Meyer, C. Elsässer, F. Lechermann, and M. Fähnle, Fortran 90 Program for Mixed-Basis Pseudopotential Calculations in Crystals, Max-Planck-Institut für Metallforschung, Stuttgart (unpublished).
36. D. Sánchez-Portal, E. Artacho, and J. M. Soler, Solid State Commun. SSCOA4 0038-1098 10.1016/0038-1098(95)00341-X 95, 685 (1995).
37. D. Sánchez-Portal, E. Artacho, and J. M. Soler, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/8/21/012 8, 3859 (1996).
38. B. Meyer, PhD thesis, Bericht Nr. 78, Stuttgart, 1998 (unpublished).
39. D. Vanderbilt, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.32.8412 32, 8412 (1985).
40. S. Köstlmeier, C. Elsässer, and B. Meyer, Ultramicroscopy ULTRD6 0304-3991 10.1016/S0304-3991(99)00103-5 80, 145 (1999).
41. N. Börnsen, B. Meyer, O. Grotheer, and M. Fähnle, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/11/25/105 11, L287 (1999).
42. N. Börnsen, G. Bester, B. Meyer, and M. Fähnle, J. Alloys Compd. JALCEU 0925-8388 10.1016/S0925-8388(00)00984-1 308, 1 (2000).
43. S. Deng, A. Simon, J. Kohler, and A. Bussmann-Holder, J. Supercond. JOUSEH 0896-1107 16, 919 (2003).
44. S. V. Barabash and D. Stroud, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.012509 66, 012509 (2002).