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Impact of Stone-Wales and lattice vacancy defects on the electro-thermal transport of the free standing structure of metallic ZGNR

Saha, Dipankar and Sengupta, Amretashis and Bhattacharya, Sitangshu and Mahapatra, Santanu (2014) Impact of Stone-Wales and lattice vacancy defects on the electro-thermal transport of the free standing structure of metallic ZGNR. In: JOURNAL OF COMPUTATIONAL ELECTRONICS, 13 (4, SI). pp. 862-871.

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Official URL: http://dx.doi.org/ 10.1007/s10825-014-0601-0

Abstract

We report the effect of topological as well as lattice vacancy defects on the electro-thermal transport properties of the metallic zigzag graphene nano ribbons at their ballistic limit. We employ the density function theory-Non equilibrium green's function combination to calculate the transmission details. We then present an elaborated study considering the variation in the electrical current and the heat current transport with the change in temperature as well as the voltage gradient across the nano ribbons. The comparative analysis shows, that in the case of topological defects, such as the Stone-Wales defect, the electrical current transport is minimum. Besides, for the voltage gradient of 0.5 Volt and the temperature gradient of 300 K, the heat current transport reduces by similar to 62 % and similar to 50% for the cases of Stones-Wales defect and lattice vacancy defect respectively, compared to that of the perfect one.

Item Type: Journal Article
Additional Information: Copyright for this article belongs to the SPRINGER, 233 SPRING ST, NEW YORK, NY 10013 USA
Keywords: ZGNR; Stone-Wales defect; Lattice vacancy defect; Metallic; Electrical current; Thermal transport; DFT
Department/Centre: Division of Electrical Sciences > Electronic Systems Engineering (Formerly Centre for Electronic Design & Technology)
Depositing User: Id for Latest eprints
Date Deposited: 19 Dec 2014 07:31
Last Modified: 19 Dec 2014 07:31
URI: http://eprints.iisc.ac.in/id/eprint/50459

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