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Updated: Apr 17, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Compressive straining of bilayer phosphorene leads to extraordinary electron mobility at a new conduction band edge
Henry Morgan Stewart1, Stephen A Shevlin, C Richard A Catlow
1Department of Chemistry, University College London , London WC1E 6BT, United Kingdom.
Abstract:
By means of hybrid DFT calculations and the deformation potential approximation, we show that bilayer phosphorene under slight compression perpendicular to its surface exhibits extraordinary room temperature electron mobility of order 7 × 10(4) cm(2) V(-1) s(-1). This is approximately 2 orders of magnitude higher than is widely reported for ground state phosphorenes and is the result of the emergence of a new conduction band minimum that is decoupled from the in-plane acoustic phonons that dominate carrier scattering.
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