Comprehensive study on electronic structures of SiGe/Ga 2 SeTe vdW heterobilayer

MOĞULKOÇ Y., GÜLER H., Tokmakci B., Caglayan R.

Journal of Materials Science, vol.58, no.9, pp.4020-4030, 2023 (SCI-Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 58 Issue: 9
  • Publication Date: 2023
  • Doi Number: 10.1007/s10853-023-08273-1
  • Journal Name: Journal of Materials Science
  • Journal Indexes: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Aerospace Database, Applied Science & Technology Source, Chemical Abstracts Core, Chimica, Communication Abstracts, Compendex, Computer & Applied Sciences, INSPEC, MEDLINE, Metadex, Public Affairs Index, Civil Engineering Abstracts
  • Page Numbers: pp.4020-4030
  • Ankara University Affiliated: Yes


Janus two-dimensional (2D) materials have been extensively studied in recent years due to their intriguing properties. Herein, we have performed the first-principles calculations to investigate optoelectronic properties of heterobilayer which have formed with monolayer SiGe and Janus Ga2SeTe. We have examined the electronic and optical properties of SiGe/Ga2SeTe heterobilayers under the biaxial strain. Similarly to graphene-based heterobilayers, we reveal that the Dirac-cone of monolayer SiGe has been preserved in both pristine and strained heterobilayers. Hence, we have also examined the Schottky barrier height (SBH) of the SiGe/Ga2SeTe heterobilayer and have found it to be n-type for the pristine case. We have depicted that the SBH of strained heterobilayer is transformed to p-type or ohmic contact. In order to carry out a comprehensive electronic study, we have examined three twisted systems that we have regarded are 7×7, 13×13, and 19×19, accordingly, we have determined the interlayer misorientation. Additionally, the entire spectrum of the imaginary part of the dielectric function has slightly shifted to infra-red (ultraviolet) regions in the presence of tensile (compressive) strains.