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

Journal Article · Fri Aug 28 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4929248· OSTI ID:22488841

Thakur, Jyoti

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.

• OSTI ID: 22488841
• Journal Information: AIP Conference Proceedings, Vol. 1675, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
ATOMS
CHROMIUM
CORRELATIONS
DENSITY FUNCTIONAL METHOD
DOPED MATERIALS
GRAPHENE
MAGNETIC MOMENTS
MAGNETIC PROPERTIES
METALLICITY
P STATES
POTENTIALS
WAVE PROPAGATION