Understanding the formation energy of transition metal hydrides

Materials Research Society Symposium - Proceedings

Volumn 730, Issue , 2002, Pages 35-40

  Smithson, Huw J ^a,b   Morgan, Dane ^a   Van der Ven, Anton ^a   Marianetti, Chris ^a   Pedith, Ashley ^a   Ceder, Gerbrand ^a  

^a USA   (United States)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDS; CHEMICAL REACTIONS; CRYSTAL STRUCTURE; FERMI LEVEL; IONS; PROBABILITY DENSITY FUNCTION; STABILITY; TRANSITION METAL COMPOUNDS;

HYPOTHETICAL REACTIONS;

HYDRIDES;

EID: 0036994752     PISSN: 02729172     EISSN: None     Source Type: Conference Proceeding    
DOI: 10.1557/proc-730-v2.2     Document Type: Conference Paper

References (4)

1. A. R. Miedema, J. Less Common Metals 32, 117 (1973).
2. H. Vehoff, in Hydrogen in Metals III, Properties and Applications, Edited by H. Wipf (Springer Verlag, Berling-Heidelberg, 1997), vol. 73, p. 215.
3. G. Kresse, J. Furthmüller, Comput. Mat. Sci. 6, 15-50 (1996).
4. G. Kresse, J. Hafner, Phys. Rev. B. 47, 558 (1993).