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Spin-dependent structural, electronic and transport properties of armchair graphyne nanoribbons doped with single transition-metal atom, using DFT calculations by S. Golafrooz Shahri; M.R. Roknabadi; R. Radfar is a Materials Science article available to read on EtoBox.

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In this present paper, the non-equilibrium Green function (NEGF) method along with the density functional theory (DFT) were used to investigate the effect of doping a single Transition-Metal Atom on transport and electronic properties of armchair graphyne (γ-graphyne) nanoribbons. It can be deduced from the results that among the doped TM atoms, Mn and Fe cause stronger polarized currents comparing to Co and Ni. Mn-AGyNR represents the features of a half-semiconductor and behaves like a semiconductor in both up and down spin channels. On the other hand, Fe-AGyNR shows a great potential in spintronic applications due to its halfmetal properties. Also our results show the promising application of armchair graphyne nanoribbons in nano-electrical devices.

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Author

S. Golafrooz Shahri; M.R. Roknabadi; R. Radfar

Publisher

Elsevier BV

Published

2017

Language

EN

Field

Materials Science (Physical Sciences)