Lattice dynamics in copper indium diselenide by inelastic neutron scattering

Autor:	Patrick Derollez, R. Fouret, Bernard Hennion, Jesus Gonzalez, A Laamyem
Rok vydání:	1999
Předmět:	Condensed matter physics Ab initio quantum chemistry methods Phonon Chemistry Dispersion (optics) Ab initio General Materials Science Neutron Inelastic scattering Neutron scattering Condensed Matter Physics Molecular physics Inelastic neutron scattering
Zdroj:	Journal of Physics: Condensed Matter. 11:3987-3995
ISSN:	1361-648X 0953-8984
DOI:	10.1088/0953-8984/11/20/305
Popis:	The phonon dispersion curves along the [100] and [001] directions of CuInSe2 have been measured by inelastic neutron scattering. The neutron measurements reveal the uncertainty of optical measurements because of the large absorption of this material. The lattice dynamics is analysed with a rigid ion model: Born-von Karman short range interactions associated with long range electrostatic forces. The calculated dispersion curves are in good agreement with the experiment. The atomic displacements associated with each vibrational mode are used to discuss the optical phonons. The obtained results provide a strong experimental basis from which we can validate the ab initio methods.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::3fa5bc3ea1fa9270ce02c11917c27028 https://doi.org/10.1088/0953-8984/11/20/305 Zobrazit plný text záznamu