Density Function Theory Calculations of Graphene Sheet
Abstract
We investigated the electrical properties of Graphene Sheet by employing the B3LYP/DFT at SIESTA – trunk - 462 of program, and calculated by employing the LDA calculations using the Gollum software . We showed that the studied Graphene Sheet has small energy band gap. Graphene Sheet has high values of ionization potential and electron affinity. It has small value of electrochemical hardness and large value of electronic softness. The calculated density of states and the observed nonzero density of states indicates a finite number of states. The I-V characteristic and conductance curves showed high value of conductivity. Pure Graphene Sheet is suggest that may make it a suitable for thermoelectric applications.
Downloads
Published
How to Cite
Issue
Section
License
Copyright (c) 2016 Ali S. Hasan, Hamid I. Abbood
This work is licensed under a Creative Commons Attribution 4.0 International License.
Journal of Kufa-Physics is licensed under the Creative Commons Attribution 4.0 International License, which allows users to copy, to create extracts, abstracts, and new works from the Article, to alter and revise the Article, and to make commercial use of the Article (including reuse and/or resale of the Article by commercial entities), provided the user gives appropriate credit (with a link to the formal publication through the relevant DOI), provides a link to the license, indicates if changes were made and the licensor is not represented as endorsing the use made of the work. The authors hold the copyright for their published work on the JKP website, while KJP is responsible for appreciating citation for their work, which is released under CC-BY-4.0 enabling the unrestricted use, distribution, and reproduction of an article in any medium, provided that the original work is properly cited.
