RT info:eu-repo/semantics/article T1 Quantum Revivals in Curved Graphene Nanoflakes A1 Huerta Sainz, Sergio de la A1 Ballesteros Castañeda, Ángel A1 Cordero Tejedor, Nicolás A. K1 Graphene K1 Curvature K1 Quantum revivals K1 DFT K1 Phase transition K1 Física K1 Physics AB Graphene nanostructures have attracted a lot of attention in recent years due to theirunconventional properties. We have employed Density Functional Theory to study the mechanicaland electronic properties of curved graphene nanoflakes. We explore hexagonal flakes relaxed withdifferent boundary conditions: (i) all atoms on a perfect spherical sector, (ii) only border atoms forcedto be on the spherical sector, and (iii) only vertex atoms forced to be on the spherical sector. Foreach case, we have analysed the behaviour of curvature energy and of quantum regeneration times(classical and revival) as the spherical sector radius changes. Revival time presents in one case adivergence usually associated with a phase transition, probably caused by the pseudomagnetic fieldcreated by the curvature. This could be the first case of a phase transition in graphene nanostructureswithout the presence of external electric or magnetic fields. PB MDPI YR 2022 FD 2022-06 LK http://hdl.handle.net/10259/7603 UL http://hdl.handle.net/10259/7603 LA eng NO This work has been partially supported by Agencia Estatal de Investigación (Spain) under grant PID2019-106802GB-I00/AEI/10.13039/501100011033 and by Spanish MICINN through the project PGC2018-097831-B-I00. S.d.-l.-H.-S. acknowledges support from Junta de Castilla y León and the European Social Fund through a predoctoral grant. DS Repositorio Institucional de la Universidad de Burgos RD 28-mar-2024