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oai: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

2023-03-20T08:25:34Z urn:hdl:10259/7558 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. 2023-03-20T08:25:34Z 2023-03-20T08:25:34Z 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