Mathematical Simulation of Graphene With Modified c-c Bond Length and Transfer Energy

Author(s) P.A. Alvi1, S.Z. Hashmi2, S. Dalela1, F. Rahman3

1 Dapartment of Physics, School of Physical Sciences, Banasthali University, Banasthali-304022, Rajasthan, India

2 Department of Chemistry, Banasthali University, Banasthali-304022, Rajasthan, India

3 Department of Physics, Aligarh Muslim University, Aligarh-202002, India

Issue Volume 3, Year 2011, Number 3
Dates Received 08 June 2011, in final form 29 September 2011 published online 05 November 2011
Citation P.A. Alvi, S.Z. Hashmi, S. Dalela, F. Rahman, J. Nano- Electron. Phys. 3 No3, 42 (2011)
PACS Number(s) 31.10. + z,, 31.15.A, 71.15 – m
Key words Graphene (14) , Tight binding approximation, Electronic structure (2) , Transfer energy.

In nanotechnology research, allotropes of carbon like Graphene, Fullerene (Buckyball) and Carbon nanotubes are widely used due to their remarkable properties. Electrical and mechanical properties of those allotropes vary with their molecular geometry. This paper is specially based on modeling and simulation of graphene in order to calculate energy band structure in k space with varying the C-C bond length and C-C transfer energy. Significant changes have been observed in the energy band structure of graphene due to variation in C-C bond length and C-C transfer energy. In particular, this paper focuses over the electronic structure of graphene within the frame work of tight binding approximation. It has been reported that conduction and valence states in graphene only meet at two points in k-space and that dispersion around these special points is conical.