Monolayer Phosphorene-Metal Interfaces
arXiv:1507.02420
Abstract
Recently, phosphorene electronic and optoelectronic prototype devices have been fabricated with various metal electrodes. We systematically explore for the first time the contact properties of monolayer (ML) phosphorene with a series of commonly used metals (Al, Ag. Cu, Au, Cr, Ni, Ti, and Pd) via both ab initio electronic structure calculations and more reliable quantum transport simulations. Strong interactions are found between all the checked metals, with the energy band structure of ML phosphorene destroyed. In terms of the quantum transport simulations, ML phosphorene forms a n-type Schottky contact with Au, Cu, Cr, Al, and Ag electrodes, with electron Schottky barrier heights (SBHs) of 0.30, 0.34, 0.37, 0.51, and 0.52 eV, respectively, and p-type Schottky contact with Ti, Ni, and Pd electrodes, with hole SBHs of 0.30, 0.26, and 0.16 eV, respectively. These results are in good agreement with available experimental data. Our findings not only provide an insight into the ML phosphorene-metal interfaces but also help in ML phosphorene based device design.
References in corpus (16)
- Two-Dimensional Gas of Massless Dirac Fermions in Graphene
- Experimental Observation of Quantum Hall Effect and Berry's Phase in Graphene
- Black phosphorus field-effect transistors
- Phosphorene: A New 2D Material with High Carrier Mobility
- Density functional method for nonequilibrium electron transport
- High-mobility transport anisotropy and linear dichroism in few-layer black phosphorus
- Rediscovering Black Phosphorus: A Unique Anisotropic 2D Material for Optoelectronics and Electronics
- Giant Intrinsic Carrier Mobilities in Graphene and Its Bilayer
- Doping graphene with metal contacts
- Tunable Band Gap and Anisotropic Optical Response in Few-layer Black Phosphorus
- High Performance Single Layered WSe2 p-FETs with Chemically Doped Contacts
- First-principles study of the interaction and charge transfer between graphene and metals
- Black Phosphorus-Monolayer MoS2 van der Waals Heterojunction P-N Diode
- Photovoltaic effect in few-layer black phosphorus PN junctions defined by local electrostatic gating
- Electrical contacts to monolayer black Phosphorus: a first principles investigation
- Interfacial Properties of Monolayer and Bilayer MoS2 Contacts with Metals: Beyond the Energy Band Calculations