Electronic structure of ternary hydrides based on light elements

Journal of Alloys and Compounds

Volumn 404-406, Issue SPEC. ISS., 2005, Pages 176-180

  Orgaz, E ^a   Membrillo, A ^a   Castaneda R ^a   Aburto, A ^a  

^a UNIVERSIDAD NACIONAL AUTÓNOMA DE MÉXICO   (Mexico)

Author keywords

Electronic band structure; Hydrogen storage materials

Indexed keywords

BAND STRUCTURE; CHEMICAL BONDS; DENSITY (SPECIFIC GRAVITY); ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; HYDROGEN;

CHEMICAL BONDING; ELECTRONIC BAND STRUCTURE; ENERGY DENSITY; HYDROGEN STORAGE MATERIALS;

HYDRIDES;

EID: 28044462436     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2004.11.111     Document Type: Article

References (18)

1. B. Bogdanovic, and M. Schwickardi J. Alloys Compd. 253 1997 1
2. M.E. Arroyo y de Dompablo, and G. Ceder J. Alloys Compd. 364 2004 6
3. P. Blaha, K. Schwarz, G.K.H. Madsen, D. Kvasnicka, and J. Luitz WIEN2k, An Augmented Plane Wave + Local Orbitals Program for Calculating Crystal Properties 2001 Karlheinz Schwarz, Techn. Universität Wien Austria 3-9501031-1-2
4. J.P. Perdew, S. Burke, and M. Ernzerhof Phys. Rev. Lett. 77 1996 3865
5. R.L. Davis, and C.H.L. Kennard J. Solid State Chem. 59 1985 393
6. S.C. Abrahams, and J. Kalnajs J. Chem. Phys. 22 1954 434
7. J.-Ph. Soulié, G. Renaudin, R. MarcmarcCerný, and K. Yvon J. Alloys Compd. 346 2002 200
8. A. Züttel, S. Rentsch, P. Fischer, P. Wenger, P. Sudan, Ph. Mauron, and Ch. Emmenegger J. Alloys Compd. 356 2003 515
9. Numerical subscripts on atoms refer to the different non-equivalent positions in the crystal structure. This notation is in accordance with the crystallographic investigations cited in this work.
10. B.C. Hauback, H.W. Brinks, and H. Fjellvág J. Alloys Compd. 346 2002 184
11. N. Sklar, and B. Post Inorg. Chem. 6 1967 669
12. O.M. Løvvik J. Alloys Compd. 356 2003 178
13. O.M. Løvvik J. Alloys Compd. 373 2004 28
14. J.W. Lauher, D. Dougherty, and P.J. Herley Acta Cryst. B 35 1979 1454
15. P. Vajeeston, P. Ravindran, R. Vidya, H. Fjellvåg, and A. Kjekshus Appl. Phys. Lett. 82 2003 2257
16. B.C. Hauback, H.W. Brinks, C.M. Jensen, A.J. Maeland, unpublished results cited in Ref. [15].
17. S.M. Opalka, and D.L. Anton J. Alloys Compd. 356 2003 486
18. A. Aguayo, and D.J. Singh Phys. Rev. B 69 2004 155103