Electronic structure and vibrational properties of Ba8Si46,Ba8AgnSi46-n, and Ba8AunSi46-n

Physical Review B - Condensed Matter and Materials Physics

Volumn 72, Issue 15, 2005, Pages

  Tse, J S ^a   Iitaka, T ^b   Kume, T ^c   Shimizu, H ^c   Parlinski, K ^d   Fukuoka, H ^e   Yamanaka, S ^e  

^a UNIVERSITY OF SASKATCHEWAN   (Canada)

^b RIKEN   (Japan)

^c GIFU UNIVERSITY   (Japan)

^d INSTITUTE OF NUCLEAR PHYSICS   (Poland)

^e HIROSHIMA UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 29644433423     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.72.155441     Document Type: Article

References (35)

1. H. Kawaji, H. O. Horie, S. Yamanaka, and M. Ishikawa, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.74.1427 74, 1427 (1995).
2. S. Yamanaka, E. Enishi, H. Fukuoka, and M. Yasukawa, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic990778p 39, 56 (2000).
3. P. Toulemonde, Ch. Adessi, X. Blasé, A. San Miguel, and J. L. Tholence, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.71.094504 71, 094504 (2005).
4. Y. Nozue, G. Hosaka, E. Enishi, and S. Yamanaka, Mol. Cryst. Liq. Cryst. Sci. Technol., Sect. A MCLCE9 1058-725X 341, 509 (2000).
5. N. Kamakura, T. Nakano, Y. Ikemoto, M. Usuda, H. Fukuoka, S. Yamanaka, S. Shin, and K. Kobayashi, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.72. 014511 72, 014511 (2005)
6. K. Tanigaki, T. Shimizu, K. M. Itoh, J. Teraoka, Y. Moritomo, and S. Yamanaka, Nat. Mater. NMAACR 1476-1122 10.1038/nmat981 2, 653 (2003).
7. D. Connetable, V. Timoshevskii, B. Masenelli, J. Beille, J. Marcus, B. Barbara, A. M. Saitta, G-M. Rignanese, P. Mélinon, S. Yamanaka, and X. Blasé, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.91.247001 91, 247001 (2003).
8. W. L. McMillan, Phys. Rev. PHRVAO 0031-899X 10.1103/PhysRev.167.331 167, 331 (1968).
9. E. Reny, A. San-Miguel, Y. Guyot, B. Masenelli, P. Mélinon, L. Saviot, S. Yamanaka, B. Champagnon, C. Cros, M. Pouchard, M. Borowski, and A. J. Dianoux, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.66.014532 66, 014532 (2002).
10. T. Kume, H. Fukuoka, T. Koda, S. Sasaki, H. Shimizu, and S. Yamanaka, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.90.155503 90, 155503 (2003).
11. H. Fukuoka, J. Kiyoto, and S. Yamanaka, Inorg. Chem. INOCAJ 0020-1669 10.1021/ic020676q 42, 2933 (2003).
12. R. F. W. Herrmann, K. Tanigaki, S. Kuroshima, and H. Suematsu, Chem. Phys. Lett. CHPLBC 0009-2614 10.1016/S0009-2614(97)01324-9 283, 29 (1998).
13. R. F. W. Herrmann, K. Tanigaki, T. Kawaguchi, S. Kuroshima, and O. Zhou, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.60.13245 60, 13245 (1999).
14. G. Kresse and J. Furthmüller, Comput. Mater. Sci. CMMSEM 0927-0256 10.1016/0927-0256(96)00008-0 6, 15 (1996);
15. G. Kresse and J. Furthmüller, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.11169 54, 11169 (1996).
16. G. Kresse and D. Joubert, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.59.1758 59, 1758 (1999).
17. K. Parlinski, Z. Q. Li, and Y. Kawazoe, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.78.4063 78, 4063 (1997).
18. Z. Li and J. S. Tse, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61. 14531 61, 14531 (2000).
19. G. Kresse, J. Furthmüller, and J. Hafner, Europhys. Lett. EULEEJ 0295-5075 32, 729 (1995).
20. J. S. Tse, Z. Q. Li, and K. Uehara, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2001-00515-8 56, 261 (2001).
21. J. Dong, O. F. Sankey, A. A. Demkov, G. K. Ramachandran, J. Gryko, P. F. McMillan, and W. Windl, Mater. Res. Soc. Symp. Proc. MRSPDH 0272-9172 545, 443 (1999).
22. L. Qiu, M. A. White, Z. Li, J. S. Tse, C. I. Ratcliffe, C. A. Tulk, J. Dong, and O. F. Sankey, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.64.024303 64, 024303 (2001)
23. S. Baroni, A. Dal Corso, S. de Gironcoli and P. Giannozzi, http://www.pwscf.org
24. P. Ordejón, E. Artacho, and J. M. Soler, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.53.R10441 53, R10441 (1996);
25. J. M. Soler, E. Artacho, J. D. Gale, A. García, J. Junquera, P. Ordejón, and D. Sánchez-Portal, J. Phys.: Condens. Matter JCOMEL 0953-8984 10.1088/0953-8984/14/11/302 14, 2745 (2002).
26. K. Moriguchi, M. Yonemura, A. Shintani, and S. Yamanaka, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.61.9859 61, 9859 (2000).
27. J. S. Tse, K. Uehara, R. Rousseau, A. Ker, C. I. Ratcliffe, M. A. White, and G. MacKay, Phys. Rev. Lett. PRLTAO 0031-9007 10.1103/PhysRevLett.85.114 85, 114 (2000).
28. See, e.g., http://www.cryst.ehu.es/
29. J. R. Ripmeester, C. I. Ratcliffe, D. D. Klug, and J. S. Tse, Ann. N.Y. Acad. Sci. ANYAA9 0077-8923 715, 161 (1994).
30. J. S. Tse and M. L. Klein, J. Chem. Phys. JCPSA6 0021-9606 10.1063/1.444921 78, 2096 (1983).
31. J. S. Tse, V. P. Shpakov, V. R. Belosludov, F. Trouw, Y. P. Handa, and W. Press, Europhys. Lett. EULEEJ 0295-5075 10.1209/epl/i2001-00250-2 54, 354 (2001).
32. J. S. Tse, C. I. Ratcliffe, B. M. Powell, V. F. Sears, and Y. P. Handa, J. Phys. Chem. A JPCAFH 1089-5639 10.1021/jp963006c 101, 4491 (1997).
33. S. Baroni, S. de Gironcoli, A. Dal Corso, and P. Giannozzi, Rev. Mod. Phys. RMPHAT 0034-6861 10.1103/RevModPhys.73.515 73, 515 (2001).
34. S. Y. Savrasov and D. Y. Savrasov, Phys. Rev. B PRBMDO 0163-1829 10.1103/PhysRevB.54.16487 54, 16487 (1996).
35. J. J. Dong, O. F. Sankey, G. K. Ramachandran, and P. F. McMillan, J. Appl. Phys. JAPIAU 0021-8979 10.1063/1.373447 87, 7726 (2000).