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arXiv · 1510.03702

Effect of doping on the electronic properties of Graphene and T-graphene : A theoretical approach

Banasree Sadhukhan·Arabinda Nayak·Abhijit Mookerjee
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Abstract

In this communication we present together four distinct techniques for the study of electronic structure of solids : the tight-binding linear muffin-tin orbitals (TB-LMTO), the real space and augmented space recursions and the modified exchange-correlation. Using this we investigate the effect of random vacancies on the electronic properties of the carbon hexagonal allotrope, graphene, and the non-hexagonal allotrope, planar T graphene. We have inserted random vacancies at different concentrations, to simulate disorder in pristine graphene and planar T graphene sheets. The resulting disorder, both on-site (diagonal disorder) as well as in the hopping integrals (off-diagonal disorder), introduces sharp peaks in the vicinity of the Dirac point built up from localized states for both hexagonal and non-hexagonal structures. These peaks become resonances with increasing vacancy concentration. We find that in presence of vacancies, graphene-like linear dispersion appears in planar T graphene and the cross points form a loop in the first Brillouin zone similar to buckled T graphene that originates from $π$ and $π$* bands without regular hexagonal symmetry. We also calculate the single-particle relaxation time, $τ(\vec{q})$ of $\vec{q}$ labeled quantum electronic states which originates from scattering due to presence of vacancies, causing quantum level broadening.

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Banasree Sadhukhan, Arabinda Nayak, Abhijit Mookerjee. 2017-05-18. Effect of doping on the electronic properties of Graphene and T-graphene : A theoretical approach. https://doi.org/10.1007/s12648-017-1067-2

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