RT info:eu-repo/semantics/article
T1 Gaussian Curvature Effects on Graphene Quantum Dots
A1 Huerta Sainz, Sergio de la
A1 Ballesteros Castañeda, Ángel
A1 Cordero Tejedor, Nicolás A.
K1 Graphene
K1 Gaussian curvature
K1 Quantum revival
K1 DFT
K1 Pseudo-magnetic field
K1 Phase transition
K1 Física
K1 Physics
AB In the last few years, much attention has been paid to the exotic properties that graphenenanostructures exhibit, especially those emerging upon deforming the material. Here we presenta study of the mechanical and electronic properties of bent hexagonal graphene quantum dotsemploying density functional theory. We explore three different kinds of surfaces with Gaussiancurvature exhibiting different shapes—spherical, cylindrical, and one-sheet hyperboloid—used tobend the material, and several boundary conditions regarding what atoms are forced to lay onthe chosen surface. In each case, we study the curvature energy and two quantum regenerationtimes (classic and revival) for different values of the curvature radius. A strong correlation betweenGaussian curvature and these regeneration times is found, and a special divergence is observed forthe revival time for the hyperboloid case, probably related to the pseudo-magnetic field generated bythis curvature being capable of causing a phase transition.
PB MDPI
YR 2022
FD 2022-12
LK http://hdl.handle.net/10259/7558
UL http://hdl.handle.net/10259/7558
LA eng
NO This work was supported by the Regional Government of Castilla y León (Junta de Castilla y León), by the Ministry of Science and Innovation MICIN (grant PGC2018-097831-B-I00) and by the European Union NextGenerationEU/PRTR.
DS Repositorio Institucional de la Universidad de Burgos
RD 04-dic-2024