Framework contraction in Na-stuffed Si(cF 136)

Inorganic Chemistry

Volumn 49, Issue 12, 2010, Pages 5338-5340

  Beekman, Matt ^a   Nenghabi, Emmanuel N ^b   Biswas, Koushik ^c   Myles, Charles W ^b   Baitinger, Michael ^d   Grin, Yuri ^d   Nolas, George S ^a  

^a UNIVERSITY OF SOUTH FLORIDA   (United States)

^b TEXAS TECH UNIVERSITY   (United States)

^c NATIONAL RENEWABLE ENERGY LABORATORY   (United States)

^d MAX PLANCK INSTITUTE FOR CHEMICAL PHYSICS OF SOLIDS   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 77953586274     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic1005049     Document Type: Article

References (23)

1. Sloan, E. D., Jr. Clathrate Hydrates of Natural Gases; Marcel Dekker, Inc.: New York, 1998.
2. McIntyre, J. A. and Petersen, D. R. J. Chem. Phys. 1967, 47, 3850
3. Zele, S. R., Lee, S.-Y., and Holder, G. D. J. Phys. Chem. B 1999, 103, 10250
4. Ikeda-Fukazawa, T., Yamaguchi, Y., Nagashima, K., and Kawamura, K. J. Chem. Phys. 2008, 129, 224506
5. Kosyakov, V. I. and Shestakov, V. A. J. Struct. Chem. 1998, 39, 786
6. Belosludov, V. R., Inerbaev, T. M., Subbotin, O. S., Belosludov, R. V., Kudoh, J.-I., and Kawazoe, Y. J. Supramol. Chem. 2002, 2, 453
7. Conesa, J. C., Tablero, C., and Wahnón, P. J. Chem. Phys. 2004, 120, 6142
8. Cros, C., Pouchard, M., and Hagenmuller, P. J. Solid State Chem. 1970, 2, 570
9. Adams, G. B., OKeefe, M., Demkov, A. A., Sankey, O. F., and Huang, Y.-M. Phys. Rev. B 1994, 49, 8048
10. Gryko, J., McMillan, P. F., Marzke, R. F., Ramachandran, G. K., Patton, D., Deb, S. K., and Sankey, O. F. Phys. Rev. B 2000, 62, R7707
11. Beekman, M. and Nolas, G. S. J. Mater. Chem. 2008, 18, 842
12. Shannon, R. D. Acta Crystallogr., Sect. A 1976, 32, 751
13. Goryunova, N. A. The Chemistry of Diamond-like Semiconductors; Chapman Hall: London, 1965.
14. Ramachandran, G. K., Dong, J. J., Diefenbacher, J., Gryko, J., Marzke, R. F., Sankey, O. F., and McMillan, P. F. J. Solid State Chem. 1999, 145, 716
15. Reny, E., Gravereau, P., Cros, C., and Pouchard, M. J. Mater. Chem. 1998, 8, 2839
16. Horie, H., Kikudome, T., Teramura, K., and Yamanaka, S. J. Solid State Chem. 2009, 182, 129
17. Roy, S. B., Sim, K. E., and Caplin, A. D. Philos. Mag. B 1992, 65, 1445
18. Our calculations are based on the first-principles LDA and were performed using the Vienna ab initio simulation package (VASP). This method has been used in many previous studies of clathrate materials, and the calculated structural, electronic, and vibrational properties were found to be in good agreement with experimental data. See, for example: Kresse, G. and Furthmüller, J. Comput. Mater. Sci. 1996, 6, 15
19. Kresse, G. and Joubert, D. Phys. Rev. B 1999, 59, 1758. Also see the SI for further details.
20. He, J., Klug, D. D., Uehara, K., Preston, K. F., Ratcliffe, C. I., and Tse, J. S. J. Phys. Chem. 2001, 105, 3475
21. Brunet, F., Mélinon, P., San-Miguel, A., Kéghélian, P., Perez, A., Flank, A. M., Reny, E., Cros, C., and Pouchard, M. Phys. Rev. B 2000, 61, 16550
22. Beekman, M., Sebastian, C. P., Grin, Yu., and Nolas, G. S. J. Electron. Mater. 2009, 38, 1136
23. Pouchard, M., Cros, C., Hagenmuller, P., Reny, E., Ammar, A., Ménétrier, M., and Bassat, J.-M. Solid State Sci. 2002, 4, 723