Comparison of three empirical force fields for phonon calculations in CdSe quantum dots

Three empirical interatomic force fields are parametrized using structural, elastic, and phonon dispersion data for bulk CdSe and their predictions are then compared for the structures and phonons of CdSe quantum dots having average diameters of ˜2.8 and ˜5.2 nm (˜410 and ˜2630 atoms, respectively)....

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Veröffentlicht in:	The Journal of chemical physics 2016-06, Vol.144 (21), p.214702-214702
1. Verfasser:	Kelley, Anne Myers
Format:	Artikel
Sprache:	eng
Schlagworte:	CADMIUM SELENIDES EXPERIMENTAL DATA FORECASTING Infrared absorption INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY INTERACTIONS Peak frequency PEAKS PHONONS QUANTUM DOTS THREE-BODY PROBLEM
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