2024-03-29T12:25:38Zhttps://riubu.ubu.es/oai/requestoai:riubu.ubu.es:10259/75582023-12-19T09:12:58Zcom_10259.4_2557com_10259_5086com_10259_2604com_10259.4_2527col_10259.4_2558col_10259.4_2528
Gaussian Curvature Effects on Graphene Quantum Dots
Huerta Sainz, Sergio de la
Ballesteros Castañeda, Ángel
Cordero Tejedor, Nicolás A.
Graphene
Gaussian curvature
Quantum revival
DFT
Pseudo-magnetic field
Phase transition
In the last few years, much attention has been paid to the exotic properties that graphene
nanostructures exhibit, especially those emerging upon deforming the material. Here we present
a study of the mechanical and electronic properties of bent hexagonal graphene quantum dots
employing density functional theory. We explore three different kinds of surfaces with Gaussian
curvature exhibiting different shapes—spherical, cylindrical, and one-sheet hyperboloid—used to
bend the material, and several boundary conditions regarding what atoms are forced to lay on
the chosen surface. In each case, we study the curvature energy and two quantum regeneration
times (classic and revival) for different values of the curvature radius. A strong correlation between
Gaussian curvature and these regeneration times is found, and a special divergence is observed for
the revival time for the hyperboloid case, probably related to the pseudo-magnetic field generated by
this curvature being capable of causing a phase transition.
2023-03-20
2023-03-20
2022-12
info:eu-repo/semantics/article
http://hdl.handle.net/10259/7558
10.3390/nano13010095
2079-4991
eng
Nanomaterials. 2022, V. 13, n. 1, 95
https://doi.org/10.3390/nano13010095
info:eu-repo/grantAgreement/AEI/Plan Estatal de Investigación Científica y Técnica y de Innovación 2017-2020/PGC2018-097831-B-I00/ES/FENOMENOS CRITICOS, SIMETRIA Y FASES TOPOLOGICAS EN SISTEMAS CUANTICOS/
http://creativecommons.org/licenses/by/4.0/
info:eu-repo/semantics/openAccess
Atribución 4.0 Internacional
MDPI