3 years ago

Spin-Orbit Effects on the Dynamical Properties of Polarons in Graphene Nanoribbons

Gesiel Gomes da Silva, Luiz Antônio Ribeiro Jr., Geraldo Magela e Silva, Wiliam Ferreira da Cunha, Rafael Timóteo de Sousa Jr., Antonio Luciano de Almeida Fonseca
The dynamical properties of polarons in armchair graphene nanoribbons (GNR) is numerically investigated in the framework of a two-dimensional tight-binding model that considers spin-orbit (SO) coupling and electron-lattice (e-l) interactions. Within this physical picture, novel polaron properties with no counterparts to results obtained from conventional tight-binding models are obtained. Our findings show that, depending on the system’s width, the presence of SO coupling changes the polaron’s charge localization giving rise to different degrees of stability for the charge carrier. For instance, the joint action of SO coupling and e-l interactions could promote a slight increase on the charge concentration in the center of the lattice deformation associated to the polaron. As a straightforward consequence, this process of increasing stability would lead to a depreciation in the polaron’s motion by decreasing its saturation velocity. Our finds are in good agreement with recent experimental investigations for the charge localization in GNR, mostly when it comes to the influence of SO coupling. Moreover, the contributions reported here provide a reliable method for future works to evaluate spin-orbit influence on the performance of graphene nanoribbons.

Publisher URL: https://www.nature.com/articles/s41598-018-19893-y

DOI: 10.1038/s41598-018-19893-y

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