Valence-electron distribution in MgB2 by accurate diffraction measurements and first-principles calculations

Physical Review B - Condensed Matter and Materials Physics

Volumn 69, Issue 6, 2004, Pages

  Wu, Lijun ^a   Zhu, Yimei ^a   Vogt, T ^a   Su, Haibin ^a   Davenport, J W ^a   Tafto, J ^b  

^a BROOKHAVEN NATIONAL LABORATORY   (United States)

^b UNIVERSITY OF OSLO   (Norway)

Author keywords

[No Author keywords available]

Indexed keywords

BORON; MAGNESIUM;

ACCURACY; ARTICLE; CALCULATION; CRYSTAL STRUCTURE; ELECTRON DIFFRACTION; MOLECULAR INTERACTION; X RAY DIFFRACTION;

EID: 1642268841     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.69.064501     Document Type: Article

References (24)

1. J. Nagamatsu, N. Nakagawa, T. Muranaka, Y. Zenitani, and J. Akimitsu: Nature (London): 410: 63 (2001).
2. P. Coppens, X-ray Charge Densities and Chemical Bonding (Oxford University Press, New York, 1997).
3. Z. W. Lu, A. Zunger, and M. Deutsch: Phys. Rev. B: 47: 9385 (1993).
4. J. M. An and W. E. Pickett: Phys. Rev. Lett.: 86: 4366 (2001).
5. K. D. Belashdhenko, M. van Schilfgaarde, and V. P. Antropov: Phys. Rev. B: 64: 092503 (2001).
6. P. P. Singh: Phys. Rev. Lett.: 87: 087004 (2001).
7. P. Ravindran, P. Vajeeston, R. Vidya, A. Kjekshus, and H. Fjellvåg: Phys. Rev. B: 64: 224509 (2001).
8. C. McGuinness, K. E. Smith, S. M. Butorin, J. H. Guo, J. Nordgren, T. Vogt, G. Schneider, J. Reilly, J. J. Tu, P. D. Johnson, and D. K. Shuh: Europhys. Lett.: 56: 112 (2001).
9. T. A. Callcott, L. Lin, G. T. Woods, G. P. Zhang, J. R. Thompson, M. Paranthaman, and D. L. Ederer: Phys. Rev. B: 64: 132504 (2001).
10. Y. Zhu, A. R. Moodenbaugh, G. Schneider, J. W. Davenport, T. Vogt, Q. Li, G. Gu, D. A. Fischer, and J. Tafto: Phys. Rev. Lett.: 88: 247002 (2002).
11. R. F. Klie, Y. Zhu, G. Schneider, and J. Tafto: Appl. Phys. Lett.: 82: 4316 (2003).
12. R. F. Klie, H. Su, Y. Zhu, J. W. Davenport, J. C. Idrobo, N. D. Browning, and P. D. Nellist: Phys. Rev. B: 67: 144508 (2003).
13. L. Wu, Y. Zhu, and J. Tafto: Phys. Rev. B: 59: 6035 (1999);
14. L. Wu, Y. Zhu, J. Tafto: Phys. Rev. Lett.: 85: 5126 (2000).
15. E. Nishibori, M. Takata, M. Sakata, H. Tanaka, T. Muranaka, and J. Akimitsu: J. Phys. Soc. Jpn.: 70: 2252 (2001).
16. H. Mori, S. Lee, A. Yamamoto, S. Tajima, and S. Sato: Phys. Rev. B: 65: 092507 (2002).
17. T. Vogt, G. Schneider, J. A. Hriljac, G. Yang, and J. S. Abell: Phys. Rev. B: 63: 220505 (2001).
18. J. M. Zuo, M. Kim, M. O’Keeffe, and J. C. H. Spence: Nature (London): 401: 49 (1999).
19. D. Rez, P. Rez, and I. Grant: Acta Crystallogr., Sect. A: Found. Crystallogr.: 50: 481 (1994).
20. P. Blaha, K. Schwarz, G. Madsen, D. Kvasnicka, and J. Luitz, WIEN2K (Karlheinz Schwarz, Techn. Universitat Wien, Austria, 2001).
21. J. P. Perdew, J. A. Chevary, S. H. Vosko, K. A. Jackson, M. R. Pederson, D. J. Singh, and C. Fiolhais: Phys. Rev. B: 46: 6671 (1992).
22. J. D. Jorgensen, D. G. Hinks, and S. Short: Phys. Rev. B: 63: 224522 (2001).
23. J.-C. Charlier, X. Gonze, and J.-P. Michenaud: Phys. Rev. B: 43: 4579 (1991).
24. R. Chen, P. Trucano, and R. F. Stewart: Acta Crystallogr., Sect. A: Cryst. Phys., Diffr., Theor. Gen. Crystallogr.: A33: 823 (1977).