Search results for "Vibrational mode"
showing 5 items of 5 documents
A Universal Length-Dependent Vibrational Mode in Graphene Nanoribbons
2019
Graphene nanoribbons (GNRs) have attracted considerable interest as their atomically tunable structure makes them promising candidates for future electronic devices. However, obtaining detailed information about the length of GNRs has been challenging and typically relies on low-temperature scanning tunneling microscopy. Such methods are ill-suited for practical device application and characterization. In contrast, Raman spectroscopy is a sensitive method for the characterization of GNRs, in particular for investigating their width and structure. Here, we report on a length-dependent, Raman active low-energy vibrational mode that is present in atomically precise, bottom-up synthesized armch…
Coherence and entanglement dynamics of vibrating qubits
2017
We investigate the dynamics of coherence and entanglement of vibrating qubits. Firstly, we consider a single trapped ion qubit inside a perfect cavity and successively we use it to construct a bipartite system made of two of such subsystems, taken identical and noninteracting. As a general result, we find that qubit vibration can lead to prolonging initial coherence in both single-qubit and two-qubit system. However, despite of this coherence preservation, we show that the decay of the entanglement between the two qubits is sped up by the vibrational motion of the qubits. Furthermore, we highlight how the dynamics of photon-phonon correlations between cavity mode and vibrational mode, which…
Ab initio calculations and vibrational spectroscopy on the phenylenediamine isomers
1998
Molecular orbital calculations at HF and MP2 levels have been performed using the 6-3IG** basis set for full geometry optimization of the phenylenediamine isomers. Our results show that only a transoid conformer is found for o-phenylenediamine, whereas cis and trans conformers exist for m- and p-phenylenediamine. Vibrational normal modes have been also analyzed for the gas phase and in chloroform solution, and compared with experimental data we have obtained using FTIR spectroscopy. © 1998 Elsevier Science B.V.
Vibrational modes of the stibine molecule
2005
International audience; In this paper, we use the algebraic approach to describe the vibrational modes of stibine molecule (of C3v molecular symmetry group) up to 21 quanta. As the stibine molecule exhibits stretch-bend resonances, we build an algebraic pyramidal coupling operator between stretching modes and bending modes adapted to this molecule. The standard deviation associated to the fit of the vibrational levels is 1.75 cm-1.
Vibrational Analysis of Paraelectric–Ferroelectric Transition of LiNbO3: An Ab-Initio Quantum Mechanical Treatment
2021
FSG acknowledges the CINECA award under the ISCRA initiative (HP10BJO47B) for the availability of high-performance computing resources and support.