• Corpus ID: 195767243

Electronic and optical properties of Germagraphene, a direct band-gap semiconductor

@article{Datta2019ElectronicAO,
  title={Electronic and optical properties of Germagraphene, a direct band-gap semiconductor},
  author={Sujoy Datta and Debnarayan Jana and Chhanda Basu Chaudhuri and Abhijit Mookerjee},
  journal={arXiv: Computational Physics},
  year={2019}
}

• Sujoy Datta, D. Jana, +1 author A. Mookerjee
• Published 1 July 2019
• Physics
• arXiv: Computational Physics

In this communication, we report a theoretical attempt to understand the electronic and optical properties of germagraphene, a two-dimensional graphene analogue. We study two different structures, C$_{17}$Ge and C$_{16}$Ge. In the C$_{17}$Ge structure, a germanium atom replaces a carbon atom while in C$_{16}$Ge structure, a carbon-carbon bond is replaced by a single germanium atom. These two types of doping have been experimentally made possible by Tripathi \etal [{\it{ACS Nano (2018) 1254641-4647}}]. We find that C$_{16}$Ge has a planar structure, whereas, the Ge atom in C$_{17}$Ge settles in an out-of-the plane position, resulting in a buckled structure. Due to Ge doping, the band-gaps open up in both. The 1.227 eV direct gap of C$_{17}$Ge is ideal for effective light absorbance and optoelectronic devices. Further study of optical properties supports this claim as well.