Density function theory calculations of graphene sheet
Other Title(s)
حسابات نظرية دالة الكثافة للكرافين شيث
Joint Authors
Hasan, Ali Salah
Abbud, Hamid Ibrahim
Source
Issue
Vol. 8, Issue 1 (30 Jun. 2016), pp.59-65, 7 p.
Publisher
University of Kufa Faculty of Science Department of Physics
Publication Date
2016-06-30
Country of Publication
Iraq
No. of Pages
7
Main Subjects
Topics
Abstract EN
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.
American Psychological Association (APA)
Hasan, Ali Salah& Abbud, Hamid Ibrahim. 2016. Density function theory calculations of graphene sheet. Journal of Kufa-Physics،Vol. 8, no. 1, pp.59-65.
https://search.emarefa.net/detail/BIM-700344
Modern Language Association (MLA)
Hasan, Ali Salah& Abbud, Hamid Ibrahim. Density function theory calculations of graphene sheet. Journal of Kufa-Physics Vol. 8, no. 1 (2016), pp.59-65.
https://search.emarefa.net/detail/BIM-700344
American Medical Association (AMA)
Hasan, Ali Salah& Abbud, Hamid Ibrahim. Density function theory calculations of graphene sheet. Journal of Kufa-Physics. 2016. Vol. 8, no. 1, pp.59-65.
https://search.emarefa.net/detail/BIM-700344
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references : p. 64-65
Record ID
BIM-700344
