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Spin splitting and p-/n-type doping of two-dimensional WSe2/BiIrO3(111) heterostructures†
Yanli Ji,Yan Song,Jijun Zou,Wenbo Mi
Physical Chemistry Chemical Physics Pub Date : 01/29/2018 00:00:00 , DOI:10.1039/C7CP08142A
Abstract

The electronic structure of monolayer WSe2/BiIrO3(111) interfaces is investigated by first-principles calculations. The different polar directions of bilayer BiIrO3(111) can induce the p- or n-type doping of WSe2, indicating that the conductivity of monolayer WSe2 can be effectively modulated by switching the polarization of bilayer BiIrO3(111). Meanwhile, in B1 and B4 models, the spin splitting energies of WSe2 are 413.7 and 416.6 meV, which decrease by 52.9 and 50.0 meV compared to that of pristine monolayer WSe2 of 466.6 meV. Additionally, by applying a perpendicular electric field of 0.1 V nm−1, the spin splitting can be increased from 413.7 to 421.5 meV. However, spin splitting shows robustness against large electric fields. The results are useful in the design of novel two-dimensional transition metal dichalcogenide devices.

Graphical abstract: Spin splitting and p-/n-type doping of two-dimensional WSe2/BiIrO3(111) heterostructures
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