Strain-engineering the anisotropic electrical conductance of few-layer black phosphorus.

Newly fabricated few-layer black phosphorus and its monolayer structure, phosphorene, are expected to be promising for electronic and optical applications because of their finite direct band gaps and sizable but anisotropic electronic mobility. By first-principles simulations, we show that this unique anisotropic free-carrier mobility can be controlled by using simple strain conditions. With the appropriate biaxial or uniaxial strain (4-6%), we can rotate the preferred conducting direction by 90°. This will be useful for exploring unusual quantum Hall effects and exotic electronic and mechanical applications based on phosphorene.

[1]  Andras Kis,et al.  Stretching and breaking of ultrathin MoS2. , 2011, ACS nano.

[2]  Giuseppe Iannaccone,et al.  Multiscale Modeling for Graphene-Based Nanoscale Transistors , 2013, Proceedings of the IEEE.

[3]  A. Tagantsev,et al.  Room-temperature ferroelectricity in strained SrTiO3 , 2004, Nature.

[4]  G. Fiori,et al.  Ab-Initio Simulations of Deformation Potentials and Electron Mobility in Chemically Modified Graphene and two-dimensional hexagonal Boron-Nitride , 2011, 1111.1953.

[5]  J. Kysar,et al.  Measurement of the Elastic Properties and Intrinsic Strength of Monolayer Graphene , 2008, Science.

[6]  M. I. Katsnelson,et al.  Energy gaps and a zero-field quantum Hall effect in graphene by strain engineering , 2010 .

[7]  Louie,et al.  Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies. , 1986, Physical review. B, Condensed matter.

[8]  Stefano de Gironcoli,et al.  QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials , 2009, Journal of physics. Condensed matter : an Institute of Physics journal.

[9]  Jed I. Ziegler,et al.  Bandgap engineering of strained monolayer and bilayer MoS2. , 2013, Nano letters.

[10]  F. Aryasetiawan,et al.  The GW method , 1997, cond-mat/9712013.

[11]  Masashi Kawasaki,et al.  Mesoscopic Percolating Resistance Network in a Strained Manganite Thin Film , 2010, Science.

[12]  K. Hata,et al.  A stretchable carbon nanotube strain sensor for human-motion detection. , 2011, Nature nanotechnology.

[13]  Xianfan Xu,et al.  Phosphorene: an unexplored 2D semiconductor with a high hole mobility. , 2014, ACS nano.

[14]  J. Kuo,et al.  Opening an electrical band gap of bilayer graphene with molecular doping. , 2011, ACS nano.

[15]  B. Radisavljevic,et al.  Mobility engineering and a metal-insulator transition in monolayer MoS₂. , 2013, Nature materials.

[16]  Burke,et al.  Generalized Gradient Approximation Made Simple. , 1996, Physical review letters.

[17]  X. Gong,et al.  Surface mobility difference between Si and Ge and its effect on growth of SiGe alloy films and islands. , 2006, Physical review letters.

[18]  K. West,et al.  Effect of strain on stripe phases in the quantum Hall regime. , 2010, Physical review letters.

[19]  P. Solomon,et al.  Six-band k⋅p calculation of the hole mobility in silicon inversion layers: Dependence on surface orientation, strain, and silicon thickness , 2003 .

[20]  Xianfan Xu,et al.  Phosphorene: an unexplored 2D semiconductor with a high hole mobility. , 2014, ACS nano.

[21]  Martins,et al.  Efficient pseudopotentials for plane-wave calculations. , 1991, Physical review. B, Condensed matter.

[22]  Youngki Yoon,et al.  How good can monolayer MoS₂ transistors be? , 2011, Nano letters.

[23]  O. Hansen,et al.  Strained silicon as a new electro-optic material , 2006, Nature.

[24]  Likai Li,et al.  Black phosphorus field-effect transistors. , 2014, Nature nanotechnology.

[25]  R. Superfine,et al.  Bending and buckling of carbon nanotubes under large strain , 1997, Nature.

[26]  T. Tang,et al.  Direct observation of a widely tunable bandgap in bilayer graphene , 2009, Nature.

[27]  A. Radenović,et al.  Single-layer MoS2 transistors. , 2011, Nature nanotechnology.

[28]  S. Takagi,et al.  On the universality of inversion layer mobility in Si MOSFET's: Part I-effects of substrate impurity concentration , 1994 .

[29]  Li Yang,et al.  Quasiparticle energy and optical excitations of gated bilayer graphene , 2012 .