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Electronic and transport features of sawtooth penta-graphene nanoribbons via substitutional doping
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Astronomy, Materials Theory.ORCID iD: 0000-0003-1231-9994
2019 (English)In: Physica. E, Low-Dimensional systems and nanostructures, ISSN 1386-9477, E-ISSN 1873-1759, Vol. 114, article id 113572Article in journal (Refereed) Published
Abstract [en]

In this work, electronic and transport properties of a pristine sawtooth penta-graphene nanoribbon (SSPGNR) and sawtooth penta-graphene nanoribbons doping with Silicon, Nitrogen, Phosphorus (Si-SSPGNR, N-SSPGNR, P-SSPGNR) are studied systematically by density-functional theory (DFT) in combination with the non-equilibrium Green's function formalism. Pristine sample and three doped samples in a similar position are terminated with H atoms. To explore in detail the electronic and transport features, we compute and discuss about the structure properties, band structure, density of states, I-V curve, and transmission spectrum. Our result shows that doping affects dramatically affects on the electronic nature and the I-V characteristic of samples. More specifically, the current intensity of N-SSPGNR and P-SSPGNR increase by 9 orders of magnitude compared to that of SSPGNR while the one of Si-SSPGNR has negligible change. However, there are also considerable differences in I-V curves of samples doping with N and P. Our findings indicate that doping by N and P can effectively modulate the electronic and the transport properties of SSPGNRs, which has not been studied so far.

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ELSEVIER , 2019. Vol. 114, article id 113572
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Condensed Matter Physics
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URN: urn:nbn:se:uu:diva-394191DOI: 10.1016/j.physe.2019.113572ISI: 000482637000014OAI: oai:DiVA.org:uu-394191DiVA, id: diva2:1359255
Available from: 2019-10-08 Created: 2019-10-08 Last updated: 2019-10-08Bibliographically approved

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Ahuja, Rajeev

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