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First-principles calculation of optical conductivity response in armchair graphene nanoribbon

ORAL

Abstract

2D materials is of great interest for making future high pase electronic devices. In this talk, I will present first-principles calculation results for conductivity measurements in pristine 7 zigzag edge of armchair graphene nanoribbons (7aGNRs), periodicity crystal structures of single boron doped 7aGNRs and periodicity crystal structures of ring-pentagon 7aGNRs. I will report that pristine unstrained 7aGNRs is optically inactive but turns to be optically active due to the application of strain engineering. In boron doped and ring-pentagon structures of 7aGNRs, first-priciples calculation results show non-vansihing optical conductivity because doping with boron atom and creating a single carbon atom vacancy convert graphene into mettalic. I will also present the response of strain on the Berry curvature of these structures. Result suggests that fermions are spread through out the Brillion zone in the reciprocal space for optimized 7aGNRs but localized near the Γ-point due to application of strain. I acknowledge Northwest Missouri State University for providing generous travel expesne support.

Publication: [1] Response of strain on optical conductivity of graphene nanoribbon (in preparation)<br>[2] Ab-initio calculations of strain induced relaxed shape armchair graphene nanoribbon: Physica E 114, 113648 (2019).<br>[3] Sanjay Prabhakar, Rabindra Nepal, Roderick Melnik and Alexey Kovalov; Valley dependent Lorentz force Aharonov-Bohm phase in strained graphene p-n junction, Physical Review B 99, 094111 (2019). <br>[4] Sanjay Prabhakar, Roderick Melnik and Luis L Bonilla; Pseudospin lifetime in relaxed-shape armchair graphene nanoribbons due to in-plane phonon modes, Physical Review B 93, 115417 (2016). <br>[5] Sanjay Prabhakar and Roderick Melnik; Relaxation of electron-hole spins in strained graphene nanoribbons, Journal of Physics: Condensed Matter 27, 435801 (2015).<br>[6] Sanjay Prabhakar, Roderick Melnik, Luis L Bonilla and Shyam Badu; Thermoelectromechanical effects in relaxed-shape graphene and band structures of graphene quantum dots, Physical Review B 90, 205418 (2014).

Presenters

  • Sanjay Prabhakar

    Northwest Missouri State University

Authors

  • Sanjay Prabhakar

    Northwest Missouri State University