Journal
CHEMICAL PHYSICS
Volume 478, Issue -, Pages 173-177Publisher
ELSEVIER
DOI: 10.1016/j.chemphys.2016.03.012
Keywords
Ni-dinuclear complexes; Transport properties; DFT/NEGF; zGNR electrode; Spin transport
Funding
- CSIR [01(2744)/13/EMR-II]
- UGC (SAP), New Delhi
- UGC, New Delhi, Govt. of India
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Quantum transport properties of some Ni-based dinuclear complexes with different polydentate organic ligands have been studied by applying abinitio density functional theory along with nonequilibrium Green's function formulations. It is demonstrated that these materials are capable of showing multifunctional spin dependent properties by the influence of edge states of zigzag edged graphene nanoribbons. The current-voltage characteristics of these materials show spin dependent negative differential resistance behavior, spin filtering effect, and also voltage rectifying property. Proper tuning of these materials can alter these effects which may be utilized in various spintronic devices. (C) 2016 Elsevier B.V. All rights reserved.
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