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Updated: Jan 2, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
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Rigid Band Shifts in Two-Dimensional Semiconductors through External Dielectric Screening
Lutz Waldecker1,2, Archana Raja3,4, Malte Rösner5
1Department of Applied Physics, Stanford University, 348 Via Pueblo Mall, Stanford, California 94305, USA.
Abstract:
We investigate the effects of external dielectric screening on the electronic dispersion and the band gap in the atomically thin, quasi-two-dimensional (2D) semiconductor WS_{2} using angle-resolved photoemission and optical spectroscopies, along with first-principles calculations. We find the main effect of increased external dielectric screening to be a reduction of the quasiparticle band gap, with rigid shifts to the bands themselves. Specifically, the band gap of monolayer WS_{2} is decreased by about 140 meV on a graphite substrate as compared to a hexagonal boron nitride substrate, while the electronic dispersion of WS_{2} remains unchanged within our experimental precision of 17 meV. These essentially rigid shifts of the valence and conduction bands result from the special spatial structure of the changes in the Coulomb potential induced by the dielectric environment of the monolayer.
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