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Stacking dependence of carrier transport properties in multilayered black phosphorous
- Source :
- J. Phys.: Condens. Matter 28 (2016) 075001 (10pp)
- Publication Year :
- 2015
-
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 bandstructure, carrier effective masses and optical properties evaluated with the Meta-Generalized Gradient Approximation (MGGA). The carrier transmission in the various black phosphorous sheets was carried out with the non-equilibrium Greens function (NEGF) approach. The results show that ACA stacking has the highest electron and hole transmission probabilities. The results show tunability for a wide range of band-gap, carrier effective masses and transmission with a great promise for lattice engineering (stacking order and layers) in black phosphorous.<br />Comment: 18 Pages , 10 figures
Details
- Database :
- arXiv
- Journal :
- J. Phys.: Condens. Matter 28 (2016) 075001 (10pp)
- Publication Type :
- Report
- Accession number :
- edsarx.1508.04935
- Document Type :
- Working Paper
- Full Text :
- https://doi.org/10.1088/0953-8984/28/7/075001