Optical properties of monolayer BeC under an external electric field: A DFT approach

Suman Chowdhury, Debnarayan Jana

Research output: Chapter in Book/Report/Conference proceedingChapterpeer-review

Abstract

BeC, a two-dimensional hypercoordinated nanostructure carbon compound, has been the focus of the nanoworld because of its high value of dynamical stability, in-plane stiffness, carriermobility and the existence of band gap. In this work, we have explored the electronic and the optical properties of this material under the influence of static external perpendicular electric field within the framework of density functional theory. Under the influence of a uniformelectric field, the band gap changes within themeV range. The electron energy loss function study reveals that thismaterial has optical band gaps which remain constant irrespective of the applied electric field strength. The optical property also exhibits interesting features when the applied field strength is within 0.4-0.5 V/Å. We have also tried to explain the optical data from the respective band structures and thus paving the way to understand qualitatively the signature of the optical anisotropy from the birefringence study.

Original languageEnglish
Title of host publicationDENSITY FUNCTIONAL THEORY: ADVANCES IN APPLICATIONS
Subtitle of host publicationAdvances in Applications
PublisherWalter de Gruyter GmbH
Pages1-17
Number of pages17
ISBN (Electronic)9783110568196
ISBN (Print)9783110566758
DOIs
Publication statusPublished - 18 Dec 2018
Externally publishedYes

Publication series

NameDensity Functional Theory

Keywords

  • Density functional theory
  • Electronic properties
  • Optical properties

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