• 文献标题:   Ab-initio calculations of electronic and vibrational properties of Sr and Yb intercalated graphene
  • 文献类型:   Article
  • 作  者:   SOLAJIC A, PESIC J, GAJIC R
  • 作者关键词:   graphene, dft, electronic propertie, 2d material
  • 出版物名称:   OPTICAL QUANTUM ELECTRONICS
  • ISSN:   0306-8919 EI 1572-817X
  • 通讯作者地址:   Univ Belgrade
  • 被引频次:   2
  • DOI:   10.1007/s11082-018-1541-x
  • 出版年:   2018

▎ 摘  要

Since the 1960s, Graphite intercalation compounds (GIC) have been extensively studied, showing many new properties and exotic physics. This inspired many to investigate a single or few-layer intercalated graphene. Intercalated graphene has many extraordinary properties and it is different compared to pristine graphene or bulk GICs, with great spectra of characteristics induced by various intercalants. This method opens new possibilities for research and applications in electronics and photonics. Here we present the results of a DFT study on electronic and vibrational properties of the graphene doped with Sr and Yb adatoms, taking into account that only their corresponding bulk compounds have been investigated so far. The calculations were performed in Quantum Espresso software package.