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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

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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 \({\sim }62\,\%\) and \({\sim }50\,\%\) for the cases of Stones-Wales defect and lattice vacancy defect respectively, compared to that of the perfect one.

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Acknowledgments

Dr. A. Sengupta thanks DST, Govt. of India, for the DST Post-doctoral Fellowship in Nano Science and Technology.

Dr. S. Bhattacharya thanks DST, Govt. of India, for the Inspire-faculty grant, 2013.

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Author notes

  1. Amretashis Sengupta

    Present address: School of VLSI Technology, Indian Institute of Engineering Science and Technology, Shibpur, India

  2. Sitangshu Bhattacharya

    Present address: Department of Electrical and Communication Engineering, Indian Institute of Information Technology-Allahabad, Allahabad, Uttar Pradesh, 211012, India

Authors and Affiliations

  1. Nano Scale Device Research Laboratory, Department of Electronic Systems Engineering, Indian Institute of Science, Bangalore, 560012, India

    Dipankar Saha, Amretashis Sengupta & Santanu Mahapatra

  2. Department of Electrical Engineering, School of Engineering, Shiv Nadar University, Dadri, Uttar Pradesh, 203207, India

    Sitangshu Bhattacharya

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  1. Dipankar Saha
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Correspondence to Dipankar Saha.

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Saha, D., Sengupta, A., Bhattacharya, S. et al. Impact of Stone-Wales and lattice vacancy defects on the electro-thermal transport of the free standing structure of metallic ZGNR. J Comput Electron 13, 862–871 (2014). https://doi.org/10.1007/s10825-014-0601-0

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  • DOI: https://doi.org/10.1007/s10825-014-0601-0

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