Graphene-Based Sensors for Monitoring Strain: A First-Principles Density Functional Theory Analysis

M. Mirnezhad, R. Ansari, H. Rouhi and M. Faghihnasiri
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M. Mirnezhad: Department of Mechanical Engineering, University of Guilan, Rasht, Iran
R. Ansari: Department of Mechanical Engineering, University of Guilan, Rasht, Iran
H. Rouhi: Department of Mechanical Engineering, University of Guilan, Rash, Iran
M. Faghihnasiri: Department of Physics, University of Guilan, Rasht, Iran

International Journal of Chemoinformatics and Chemical Engineering (IJCCE), 2013, vol. 3, issue 1, 74-83

Abstract: The application of graphene as a nanosensor in measuring strain through its band structure around the Fermi level is investigated in this paper. The mechanical properties of graphene as well as its electronic structure are determined by using the density functional theory calculations within the framework of generalized gradient approximation. In the case of electronic properties, the simulations are applied for symmetrical and asymmetrical strain distributions in elastic range; also the tight-binding approach is implemented to verify the results. It is indicated that the energy band gap does not change with the symmetrical strain distribution but depend on the asymmetric strain distribution, increasing strain leads to band gap opening around the Fermi level.

Date: 2013
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