Electronic and vibrational properties of lithium doped graphene

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4918009· OSTI ID:22490457

Seriani, Nicola ^[1]; Jha, Prafulla K. ^[2]

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1. Condensed Matter and Statistical Physics, Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy)
2. Department of Physics, Faculty of Science, The M. S. University of Baroda, Vadodara-390002 (India)

In the frame-work of density functional theory calculation, using planewave pseudopotentials within local density approximation, the electronic and vibrational properties of graphene supercell by adsorption of lithium at three different sites top, hollow and bridge, have been systematically investigated and analyzed. We found that the hollow site is the most favorable site having lowest energy and positive phonon frequency throughout Brillouin zone indicating dynamical stability.

• OSTI ID: 22490457
• Journal Information: AIP Conference Proceedings, Vol. 1665, Issue 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ADSORPTION
APPROXIMATIONS
BRILLOUIN ZONES
DENSITY
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
GRAPHENE
LITHIUM
PHASE STABILITY
PHONONS
POTENTIALS