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Density Functional Theory Investigation of Negative Differential Resistance and Efficient Spin Filtering in Niobium Doped Armchair Graphene Nanoribbons

Abstract

Using density functional theory calculation in combination with non-equilibrium green’s function method, we explore the transport properties of niobium doped (~3.57%) armchair graphene nanoribbon of dimer length seven in a two-terminal device configuration. Band structure of the supercell with niobium atoms shows spin splitting near the Fermi level. The spin dependent transport properties and spin resolved band structure of electrodes with applied bias are calculated to understand the spin filter and negative differential resistance (NDR) effect. The spin filter efficiency of the device is found to be greater than 95 % in the applied voltage range of 0.15 V to 0.5 V for antiparallel configuration, and the device is suitable as an efficient spin filter at room temperature. Parallel configuration has higher range, 0 V to 0.5 V with efficiency greater than 70 %. Peak to valley ratios in parallel configuration for spin-up and spin-down currents are 4.5 and 17.8, respectively, while in antiparallel configuration the values are 4.57 and 37.5, respectively. The combined NDR characteristic shows figure of merit with a peak current density of ~6 mA/um and PVR of ~4.6 useful for logical application. Our findings open a new way to produce multifunctional spintronic devices based on niobium-doped armchair graphene nanoribbons.

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Publication details

The article was received on 30 Aug 2017, accepted on 11 Oct 2017 and first published on 12 Oct 2017


Article type: Paper
DOI: 10.1039/C7CP05921C
Citation: Phys. Chem. Chem. Phys., 2017, Accepted Manuscript
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    Density Functional Theory Investigation of Negative Differential Resistance and Efficient Spin Filtering in Niobium Doped Armchair Graphene Nanoribbons

    J. kumar, H. B. Nemade and P. K. Giri, Phys. Chem. Chem. Phys., 2017, Accepted Manuscript , DOI: 10.1039/C7CP05921C

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