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Title: Electronic and magnetic properties of Cr doped graphene; Full potential approach

The electronic and magnetic properties of pristine and Cr doped graphene have been calculated using WIEN2k implementation of full potential linearized augmented plane wave (FPLAPW) method based on Density Functional Theory (DFT). The exchange and correlation (XC) effects were taken into account by generalized gradient approximation (GGA). The calculated results show that Cr doping introduces appropriate magnetic moment on graphene. The p-d interaction between 3d states of Cr atom and p-states of C atom are responsible for half metallicity in graphene. The calculated Half-metallic behavior of Cr-doped graphene makes it an ideal candidate for spintronic applications.
Authors:
;  [1] ;  [2]
  1. Department of Physics, Kurukshetra University, Kurukshetra-136119 (Haryna) INDIA (India)
  2. Department of Physics, Panjab University, Chandigarh-160014 INDIA (India)
Publication Date:
OSTI Identifier:
22488841
Resource Type:
Journal Article
Resource Relation:
Journal Name: AIP Conference Proceedings; Journal Volume: 1675; Journal Issue: 1; Conference: AMRP-2015: 4. national conference on advanced materials and radiation physics, Longowal (India), 13-14 Mar 2015; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ATOMS; CHROMIUM; CORRELATIONS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; GRAPHENE; MAGNETIC MOMENTS; MAGNETIC PROPERTIES; METALLICITY; P STATES; POTENTIALS; WAVE PROPAGATION