The vibrational spectrum of magnesium hydride from inelastic neutron scattering and density functional theory

Materials Science and Engineering: B

Volumn 108, Issue 1-2, 2004, Pages 38-41

  Schimmel, H G ^a   Johnson, M R ^b   Kearley, G J ^a   Ramirez Cuesta, A J ^c   Huot, J ^d   Mulder, F M ^a  

^a DELFT UNIVERSITY OF TECHNOLOGY   (Netherlands)

^b INSTITUT LAUE LANGEVIN   (France)

^c RUTHERFORD APPLETON LABORATORY   (United Kingdom)

^d HYDRO QUÉBEC   (Canada)

Author keywords

Density functional theory; Hydrogen storage; Magnesium hydride; Neutron scattering

Indexed keywords

CRYSTAL STRUCTURE; DIFFUSION; MONTE CARLO METHODS; NANOSTRUCTURED MATERIALS; NEUTRON SCATTERING; PHONONS; PROBABILITY DENSITY FUNCTION; SORPTION; SPECTRUM ANALYSIS; X RAY DIFFRACTION ANALYSIS;

DENSITY FUNCTIONAL THEORY; HYDROGEN STORAGE; MAGNESIUM HYDRIDES;

HYDRIDES;

EID: 1842582479     PISSN: 09215107     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.mseb.2003.10.035     Document Type: Conference Paper

References (13)

1. Schlapbach L., Zuettel A., Nature. 414:2001;353.
2. Huot J., Liang G., Schulz R., Appl. Phys. A. 72:2001;187.
3. Kearley G.J., Nucl. Instrum. Methods A. 354(1):1995;169.
4. Johnson M.R., Trommsdorff H.P., Chem. Phys. Lett. 364(1-2):2002;34.
5. G. Kresse, J. Furthmüller, Software VASP, Vienna, 1999 Kresse G., Furthmüller J., Phys. Rev. B. 54(11):1996;169 Kresse G., Furthmüller J., Comput. Mater. Sci. 6:1996;15.
6. G. Kresse, J. Furthmüller, Software VASP, Vienna, 1999 Kresse G., Furthmüller J., Phys. Rev. B. 54(11):1996;169 Kresse G., Furthmüller J., Comput. Mater. Sci. 6:1996;15.
7. G. Kresse, J. Furthmüller, Software VASP, Vienna, 1999 Kresse G., Furthmüller J., Phys. Rev. B. 54(11):1996;169 Kresse G., Furthmüller J., Comput. Mater. Sci. 6:1996;15.
8. Kresse G., Hafner J., Phys. Rev. B. 47:1993;558 Kresse G., Hafner J., Phys. Rev. B. 49(14):1994;251.
9. Kresse G., Hafner J., Phys. Rev. B. 47:1993;558 Kresse G., Hafner J., Phys. Rev. B. 49(14):1994;251.
10. Vanderbilt D., Phys. Rev. B. 41:1990;7892.
11. K. Parlinski, Software PHONON, Technical report, Cracow, Poland, 2001.
12. Parlinski K., Li Z.Q., Kawazoe Y., Phys. Rev. Lett. 78:1997;4063.
13. K. Parlinski, in: M.R. Johnson, G.J. Kearley, H.G. Büttner (Eds.), Proceedings of the Conference of American Institute of Physics, vol. 479, 1999, p. 121.