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cond-mat.mtrl-sci2020★ 1 cited
Angle-dependence of interlayer coupling in twisted transition metal dichalcogenide heterobilayers
W. T. Geng, V. Wang, J. B. Lin +2
We reveal by first-principles calculations that the interlayer binding in a twisted MoS2/MoTe2 heterobilayer decreases with increasing twist angle, due to the increase of the inter…
cond-mat.mtrl-sci2020★ 1 cited
Orbital-Energy Splitting in Anion Ordered Ruddlesden-Popper Halide Perovskites for Tunable Optoelectronic Applications
Gang Tang, Vei Wang, Yajun Zhang +2
The electronic orbital characteristics at the band edges plays an important role in determining the electrical, optical and defect properties of perovskite photovoltaic materials.…
cond-mat.mtrl-sci2020
Moiré potential, lattice corrugation, and band gap spatial variation in a twist-free MoS2/MoTe2 heterobilayer
W. T. Geng, V. Wang, Y. C. Liu +2
To have a fully ab initio description of the Moiré pattern in a transition metal dichalcogenide heterobilayer, we have carried out density functional theory calculations, taking ac…