Journal
PHYSICS LETTERS A
Volume 384, Issue 5, Pages -Publisher
ELSEVIER
DOI: 10.1016/j.physleta.2019.126123
Keywords
Zigzag black phosphorene nanoribbon; Edge saturation; Density functional theory; Electronic transport properties; Negative differential resistance
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Funding
- National Natural Science Foundation of China (NNSFC) [21673296, 61801520]
- China Postdoctoral Science Foundation [2018M642997, 20191120710]
- Natural Science Foundation of Hunan Province [2018112481, 20180521]
- Fundamental Research Funds for the Central Universities of Central South University [2018zzts328]
- Postdoctoral Science Foundation of Central South University [198449]
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Two-dimensional (2D) material of few-layer black phosphorus (BP) has recently attracted extensive interest owing to its tunable band gap and high carrier mobility. We investigate the electronic transport properties of zigzag black phosphorene nanoribbons (ZBPNRs) with asymmetric H, Li, O and Co edge saturations by employing the density functional theory in combination with the non-equilibrium Green's function. The computational results forecast that different types of saturated atoms at both edge of ribbons mainly contribute to the electronic transport properties of molecular junctions. The metal edge saturation of Co atom is used to the one edge of ZBPNR which can induce an identical electronic transport property. Interestingly, the negative differential resistance (NDR) phenomena can be observed in our proposed ZBPNR junctions with an analysis of internal physical mechanism. Our theoretical results could support the possibility of potential applications to design 2D electronic devices based on the material of BP in future. (C) 2019 Elsevier B.V. All rights reserved.
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