Moiré-Induced Electronic Reconstruction in van der Waals Heterobilayer PtSe 2 /PtTe 2
Journal
ACS Nano
Journal Volume
20
Journal Issue
6
Start Page
5102
End Page
5109
ISSN
1936-0851
1936-086X
Date Issued
2026-02-02
Author(s)
Liao, Yin-Song
Wang, Ruei-Yu
Tsai, Han-Wei
Chen, Guan-Hao
Chan, Hsin-Hsien
Hsieh, Hsun-Ting
Cheng, Cheng-Maw
Lin, Chun-Liang
Lin, Meng-Kai
Abstract
van der Waals heterostructures composed of a few atomic layers have attracted significant attention in the condensed matter physics community. Although interlayer bonding is weak, effects such as moiré modulation, charge redistribution, and electronic hybridization can substantially modify the band structure and interlayer coupling. In this work, we investigate heterostructures composed of few-layer PtSe2 and PtTe2 by using first-principles calculations implemented within density functional theory (DFT) and angle-resolved photoemission spectroscopy (ARPES). While both materials are Dirac semimetals in the bulk form, they undergo a transition to semiconducting states in the few-layer limit. These heterostructures allow systematic examination of how dimensional confinement and interfacial interactions influence band structure and interlayer coupling. Our combined ARPES measurements and DFT calculations indicate the presence of electronic hybridization at the interface. The interlayer coupling in PtSe2/PtTe2 is associated with flat-band features and valence-band splitting induced by both inversion symmetry breaking and spin–orbit coupling. Furthermore, the local density of states indicates metallic behavior at the MM site while it remains semiconducting at MX and XX sites with the band gap of 0.40 and 0.25 eV, respectively. Further analysis shows that the electronic hybridization and charge transfer between PtSe2 and PtTe2 are sensitive to the interlayer distance, which is consistent with moiré characteristics. These results highlight how interfacial interactions govern the electronic properties of vdW heterostructures.
Subjects
ARPES
flat bands
interfacial hybridization
moiré superlattice
PtSe2/PtTe2
stacking registry
van der Waals heterostructures
Publisher
American Chemical Society (ACS)
Type
journal article