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Stacking dependence of carrier transport properties in multilayered black phosphorous

Sengupta, A. ; Audiffred, M. ; Heine, T. ; Niehaus, T. A.



Abstract

We present the effect of different stacking orders on carrier transport properties of multi-layer black phosphorous. We consider three different stacking orders AAA, ABA and ACA, with increasing number of layers (from 2 to 6 layers). We employ a hierarchical approach in density functional theory (DFT), with structural simulations performed with generalized gradient approximation (GGA) and the ...

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