• 文献标题:   Graphene Plasmonics: Fully Atomistic Approach for Realistic Structures
  • 文献类型:   Article
  • 作  者:   GIOVANNINI T, BONATTI L, POLINI M, CAPPELLI C
  • 作者关键词:  
  • 出版物名称:   JOURNAL OF PHYSICAL CHEMISTRY LETTERS
  • ISSN:   1948-7185
  • 通讯作者地址:   Scuola Normale Super Pisa
  • 被引频次:   2
  • DOI:   10.1021/acs.jpclett.0c02051
  • 出版年:   2020

▎ 摘  要

We demonstrate that the plasmonic properties of realistic graphene and graphene-based materials can effectively and accurately be modeled by a novel, fully atomistic, yet classical, approach, named omega FQ. Such a model is able to reproduce all plasmonic features of these materials and their dependence on shape, dimension, and fundamental physical parameters (Fermi energy, relaxation time, and two-dimensional electron density). Remarkably, omega FQ is able to accurately reproduce experimental data for realistic structures of hundreds of nanometers (similar to 370k atoms), which cannot be afforded by any ab initio method. Also, the atomistic nature of omega FQ permits the investigation of complex shapes, which can hardly be dealt with by exploiting widespread continuum approaches.