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Title: Electronic and vibrational properties of lithium doped graphene

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.
Authors:
 [1] ;  [2] ;  [3] ;  [4]
  1. Department of Physics, Maharaja Krishnakumarsinhji Bhavnagar University, Bhavnagar-364001 (India)
  2. (Italy)
  3. Condensed Matter and Statistical Physics, Abdus Salam International Centre for Theoretical Physics, Strada Costiera 11, 34151 Trieste (Italy)
  4. Department of Physics, Faculty of Science, The M. S. University of Baroda, Vadodara-390002 (India)
Publication Date:
OSTI Identifier:
22490457
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1665; Journal 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)
Country of Publication:
United States
Language:
English
Subject:
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; ADSORPTION; APPROXIMATIONS; BRILLOUIN ZONES; DENSITY; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GRAPHENE; LITHIUM; PHASE STABILITY; PHONONS; POTENTIALS