• 文献标题:   Hydrogenation effects on the thermal and magnetic properties of mono- and bilayer graphene
  • 文献类型:   Article
  • 作  者:   SANI SS, MOUSAVI H, JALILVAND S, ASSHABI M
  • 作者关键词:   electronic heat capacity, pauli magnetic susceptibility, tightbinding model, graphone, graphane
  • 出版物名称:   CARBON LETTERS
  • ISSN:   1976-4251 EI 2233-4998
  • 通讯作者地址:  
  • 被引频次:   5
  • DOI:   10.1007/s42823-021-00227-4 EA MAR 2021
  • 出版年:   2021

▎ 摘  要

In the present study, the nearest-neighbor tight-binding model has been employed to calculate the density of states (DOS), electronic heat capacity (EHC), and Pauli magnetic susceptibility (PMS) of hydrogenated systems, namely monolayer graphone and graphane, bilayer graphone-graphene, and bilayer graphane-graphene. Then, the results have been compared with that of monolayer and simple bilayer graphene. It was found that the behaviors of hydrogenated systems differ from those of monolayer and bilayer graphene near the Fermi Level. Also, monolayer graphone and bilayer graphone-graphene exhibit a high peak near the Fermi level. Graphane monolayer, on the other hand, has no states around the Fermi level. Furthermore, bilayer graphane-graphone, similar to graphene, is a semimetal. Also, Schottky anomaly peaks in the EHC curves and crossovers in the PMS curves can be observed, which have divided the domain into two regions of low and high temperature. Compared to hydrogenated systems, the Schottky anomaly in graphene monolayer and bilayer graphene occurred at lower temperatures, while the PMS of monolayer graphone and bilayer graphone-graphene were faster than other systems in reaching the crossover. From the theoretical standpoint, these phenomena are due to the proportional relation of the PMS and EHC with the DOS.