First-principle density-functional calculation of the Raman spectra of BEDT-TTF

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dc.creatorBrake, K.
dc.creatorPowell, B. J.
dc.creatorMcKenzie, R. H.
dc.creatorBaruah, T.
dc.creatorPederson, M. R.
dc.date2003-10-09
dc.date.accessioned2026-07-07T02:54:05Z
dc.date.available2026-07-07T02:54:05Z
dc.descriptionWe present a first-principles density-functional calculation for the Raman spectra of a neutral BEDT-TTF molecule. Our results are in excellent agreement with experimental results. We show that a planar structure is not a stable state of a neutral BEDT-TTF molecule. We consider three possible conformations and discuss their relation to disorder in these systems.
dc.description3 pages, 2 figures, submitted to the proceedings of ISCOM 2003
dc.identifierhttps://arxiv.org/abs/cond-mat/0310197
dc.identifierhttp://arxiv.org/abs/cond-mat/0310197
dc.identifierJ. Phys. IV France 114 (2004) 293
dc.identifierdoi:10.1051/jp4:2004114063
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/22404
dc.subjectSuperconductivity
dc.subjectMaterials Science
dc.titleFirst-principle density-functional calculation of the Raman spectra of BEDT-TTF
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