Moiré superlattices and 2D electronic properties of graphite/MoS2 heterostructures

Daniel J. Trainer, Aleksei V. Putilov, Baokai Wang, Christopher Lane, Timo Saari, Tay Rong Chang, Horng Tay Jeng, Hsin Lin, Xiaoxing Xi, Jouko Nieminen, Arun Bansil, Maria Iavarone

Research output: Contribution to journalArticlepeer-review

9 Citations (Scopus)


Heterostructures of graphite/MoS2 display a wide range of lattice registry due to rotational alignment and/or lattice mismatch. Using high resolution scanning tunneling microscopy and spectroscopy (STM/STS) we investigated electronic properties of these heterostructures and observed changes in the bandgap as a function of the twist angle between the layers. Green's function based electronic structure calculations were carried out in order to shed light on the mechanism underlying the observed bandgap changes. Indirect coupling between the pz orbitals of the substrate Carbon atoms and the dz2 orbitals of the MoS2 layers (mediated by the pz orbitals of the bottom S layers) is found to be responsible for changes in the valence-band edge. Simple stacking of van der Waals materials with diverse properties have the potential to enable the fabrication of novel materials and device structures with tailored electronic properties.

Original languageEnglish
Pages (from-to)325-330
Number of pages6
JournalJournal of Physics and Chemistry of Solids
Publication statusPublished - 2019 May

All Science Journal Classification (ASJC) codes

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics


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