Electron-Transport Properties of Few-Layer Black Phosphorus.
We perform the first-principles computational study of the effect of number of stacking layers and stacking style of the few-layer black phosphorus (BPs) on the electronic properties, including transport gap, current-voltage (i-v) relation, and differential conductance. Our computation is based on the nonequilibrium Green's function approach combined with density functional theory calculations. Specifically, we compute electron-transport properties of monolayer BP, bilayer BP, and trilayer BP as well as bilayer BPs with AB-, AA-, or AC-stacking. We find that the stacking number has greater influence on the transport gap than the stacking type. Conversely, the stacking type has greater influence on i-v curve and differential conductance than on the transport gap. This study offers useful guidance for determining the number of stacking layers and the stacking style of few-layer BP sheets in future experimental measurements and for potential applications in nanoelectronic devices.
†School of Mathematics and Physics, Changzhou University, Changzhou 213164, People's Republic of China.|‡Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, 536 Hamilton Hall, Lincoln, Nebraska 68588, United States.|§Shanghai Key Laboratory of Special Artificial Microstructure Materials and Technology, School of Physics Science and Engineering, Tongji University, Shanghai 200092, China.
Yuehua
Y
Xu
‡Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, 536 Hamilton Hall, Lincoln, Nebraska 68588, United States.
Jun
J
Dai
‡Department of Chemistry and Nebraska Center for Materials and Nanoscience, University of Nebraska-Lincoln, 536 Hamilton Hall, Lincoln, Nebraska 68588, United States.
Xiao Cheng
XC
Zeng
differential conductance; interlayer interaction; i−v curve; transmission spectra; two-probe configuration