TY - JOUR
T1 - Stacking Effects in van der Waals Heterostructures of Silicene and Hexagonal Boron Nitride
AU - Sattar, Shahid
AU - Zhang, Yongyou
AU - Schwingenschlögl, Udo
N1 - KAUST Repository Item: Exported on 2020-10-01
Acknowledgements: The research reported in this publication was supported by funding from King Abdullah University of Science and Technology (KAUST). Fruitful discussions with Qingyun Zhang and Nirpendra Singh are gratefully acknowledged.
PY - 2018/8/23
Y1 - 2018/8/23
N2 - The stacking effects on the electronic structure of van der Waals heterostructures consisting of silicene and hexagonal boron nitride are investigated by first-principles calculations. It is shown that the stacking is fundamental for the details of the dispersion relation in the vicinity of the Fermi energy (gapped, non-gapped, linear, parabolic) despite small differences in the total energy. It is also demonstrated that the tight-binding model of bilayer graphene is able to capture most of these features of the van der Waals heterostructures, and the limitations of the model are identified.
AB - The stacking effects on the electronic structure of van der Waals heterostructures consisting of silicene and hexagonal boron nitride are investigated by first-principles calculations. It is shown that the stacking is fundamental for the details of the dispersion relation in the vicinity of the Fermi energy (gapped, non-gapped, linear, parabolic) despite small differences in the total energy. It is also demonstrated that the tight-binding model of bilayer graphene is able to capture most of these features of the van der Waals heterostructures, and the limitations of the model are identified.
UR - http://hdl.handle.net/10754/630503
UR - https://onlinelibrary.wiley.com/doi/full/10.1002/adts.201800083
U2 - 10.1002/adts.201800083
DO - 10.1002/adts.201800083
M3 - Article
SN - 2513-0390
VL - 1
SP - 1800083
JO - Advanced Theory and Simulations
JF - Advanced Theory and Simulations
IS - 11
ER -