Table of Contents
Conference Papers in Science
Volume 2014, Article ID 807893, 5 pages
http://dx.doi.org/10.1155/2014/807893
Conference Paper

Study of Structural and Electronic Behavior of BeH2 as Hydrogen Storage Compound: An Ab Initio Approach

School of Studies in Physics, Jiwaji University, Gwalior 474 011, India

Received 28 January 2014; Accepted 3 March 2014; Published 27 April 2014

Academic Editors: P. Mandal, R. K. Shivpuri, and G. N. Tiwari

This Conference Paper is based on a presentation given by Vikas Nayak at “National Conference on Advances in Materials Science for Energy Applications” held from 9 January 2014 to 10 January 2014 in Dehradun, India.

Copyright © 2014 Vikas Nayak et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Linked References

  1. St. J. Duclos, Y. K. Vohra, A. L. Ruoff, S. Filipek, and B. Baranowski, “High-pressure studies of NaH to 54 GPa,” Physical Review B, vol. 36, no. 14, pp. 7664–7667, 1987. View at Publisher · View at Google Scholar · View at Scopus
  2. D. R. Armstrong, J. Jamieson, and P. G. Perkins, “The electronic structures of polymeric beryllium hydride and polymeric boron hydride,” Theoretica Chimica Acta, vol. 51, no. 2, pp. 163–172, 1979. View at Publisher · View at Google Scholar · View at Scopus
  3. G. S. Smith, Q. C. Johnson, D. K. Smith et al., “The crystal and molecular structure of beryllium hydride,” Solid State Communications, vol. 67, no. 5, pp. 491–494, 1988. View at Google Scholar · View at Scopus
  4. M. Ahart, J. L. Yarger, K. M. Lantzky, S. Nakano, H.-K. Mao, and R. J. Hemley, “High-pressure Brillouin scattering of amorphous BeH2,” The Journal of Chemical Physics, vol. 124, no. 1, Article ID 014502, 2006. View at Publisher · View at Google Scholar · View at Scopus
  5. P. Vajeeston, P. Ravindran, A. Kjekshus, and H. Fjellvåg, “Structural stability of BeH2 at high pressures,” Applied Physics Letters, vol. 84, no. 1, pp. 34–36, 2004. View at Publisher · View at Google Scholar · View at Scopus
  6. U. Hantsch, B. Winkler, and V. Milman, “The isotypism of BeH2 and SiO2: an ab initio study,” Chemical Physics Letters, vol. 378, no. 3-4, pp. 343–348, 2003. View at Publisher · View at Google Scholar · View at Scopus
  7. P. Hohenberg and W. Kohn, “Inhomogeneous electron gas,” Physical Review, vol. 136, no. 3, pp. B864–B871, 1964. View at Publisher · View at Google Scholar · View at Scopus
  8. W. Kohn and L. J. Sham, “Self-consistent equations including exchange and correlation effects,” Physical Review, vol. 140, no. 4, pp. A1133–A1138, 1965. View at Publisher · View at Google Scholar · View at Scopus
  9. P. Blaha, K. Schwarz, P. Sorantin, and B. Rckey, “Full-potential, linearized augmented plane wave programs for crystalline systems,” Computer Physics Communications, vol. 59, no. 2, pp. 399–415, 1990. View at Google Scholar
  10. H. J. Monkhorst and J. D. Pack, “Special points for Brillouin-zone integrations,” Physical Review B, vol. 13, Article ID 5188, 1976. View at Publisher · View at Google Scholar
  11. F. Murnaghan, “The compressibility of media under extreme pressures,” Proceedings of the National Academy of Sciences of the United States of America, vol. 30, no. 9, pp. 244–247, 1944. View at Google Scholar