Electronic band Structure and Photoemission Spectra of Graphene on Silicon Substrate

Javvaji, Brahmanandam and Ravikumar, Abhilash and Shenoy, BM and Mahapatra, Roy D and Rahman, MR and Hegde, GM (2014) Electronic band Structure and Photoemission Spectra of Graphene on Silicon Substrate. In: Conference on Physics and Simulation of Optoelectronic Devices XXII, FEB 03-06, 2014, San Francisco, CA.

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Abstract

Synergizing graphene on silicon based nanostructures is pivotal in advancing nano-electronic device technology. A combination of molecular dynamics and density functional theory has been used to predict the electronic energy band structure and photo-emission spectrum for graphene-Si system with silicon as a substrate for graphene. The equilibrium geometry of the system after energy minimization is obtained from molecular dynamics simulations. For the stable geometry obtained, density functional theory calculations are employed to determine the energy band structure and dielectric constant of the system. Further the work function of the system which is a direct consequence of photoemission spectrum is calculated from the energy band structure using random phase approximations.

Item Type:	Conference Proceedings
Series.:	Proceedings of SPIE
Publisher:	SPIE-INT SOC OPTICAL ENGINEERING
Additional Information:	copyright for this article belongs to SPIE-INT SOC OPTICAL ENGINEERING, 1000 20TH ST, PO BOX 10, BELLINGHAM, WA 98227-0010 USA
Keywords:	grapheme; silicon; electronic band structure; work function; molecular dynamics; density functional theory
Department/Centre:	Division of Mechanical Sciences > Aerospace Engineering(Formerly Aeronautical Engineering)
Date Deposited:	24 Jun 2014 06:31
Last Modified:	24 Jun 2014 11:58
URI:	http://eprints.iisc.ac.in/id/eprint/49337

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