First-principle density-functional calculation of the Raman spectra of BEDT-TTF
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چکیده
منابع مشابه
First-principle density-functional calculation of the Raman spectra of BEDT-TTF
We 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. Crystals based on the BEDT-TTF m...
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ژورنال
عنوان ژورنال: Journal de Physique IV (Proceedings)
سال: 2004
ISSN: 1155-4339
DOI: 10.1051/jp4:2004114063