Title : ( first principle study of inducing supercunductivity in alpha-graphyne by hole -doping and biaxial tensile strain )
Authors: Toktam Morshedloo , Mahmood Rezaee Roknabadi , Mohammad Behdani , mohsen modarresi , Ali Kazempour ,Access to full-text not allowed by authors
Abstract
First-principle calculations within Eliashberg theory framework have been utilized to investigate theoretically the effect of hole-doping along with applying strain on superconductivity in a-graphyne and graphene as a benchmark. We show how the electronic properties, electron-phonon interaction strength and superconducting critical temperature T of a-graphyne and graphene are affected by hole-doping and biaxial tensile strain. Although, intrinsic a-graphyne is semi-metal but it is found that increasing holedoped concentration of 12.5–25% changes its electronic properties from metal to semiconductor with a band gap energy of 0.46 eV. Furthermore, we demonstrate that it is not possible to induce superconductivity in a-graphyne by the conspiracy of 12.5% hole-doping and critical strain (8%) contrary to 12.5% hole-doped graphene under critical strain (12%) which becomes superconductor with Tc ~ 12 K. It seems that the presence of C„C bond suppresses the effect of strain significantly and hole-doping slightly on improving electron-phonon coupling constant and Tc in contrast to graphene.
Keywords
, inducing superconductivity, alpha graphyne, hole doping, strain@article{paperid:1057845,
author = {Morshedloo, Toktam and Rezaee Roknabadi, Mahmood and Behdani, Mohammad and Modarresi, Mohsen and Ali Kazempour},
title = {first principle study of inducing supercunductivity in alpha-graphyne by hole -doping and biaxial tensile strain},
journal = {Computational Materials Science},
year = {2016},
volume = {124},
number = {11},
month = {August},
issn = {0927-0256},
pages = {183--189},
numpages = {6},
keywords = {inducing superconductivity; alpha graphyne; hole doping; strain},
}
%0 Journal Article
%T first principle study of inducing supercunductivity in alpha-graphyne by hole -doping and biaxial tensile strain
%A Morshedloo, Toktam
%A Rezaee Roknabadi, Mahmood
%A Behdani, Mohammad
%A Modarresi, Mohsen
%A Ali Kazempour
%J Computational Materials Science
%@ 0927-0256
%D 2016