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Title: Electronic and magnetic properties of Mo doped graphene; full potential approach

Abstract

The electronic and magnetic properties of Pristine and Mo 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 Mo doping creates magnetism in Graphene by shifting the energy levels at E{sub F} and opens up a channel for Graphene to be used in real nanoscale device applications. The unpaired d-electrons of Mo atom are responsible for induced magnetism in Graphene. Magnetic ordering created in Graphene in this way makes it suitable for recording media, magnetic sensors, magnetic inks and spintronic devices.

Authors:
;  [1];  [2];  [3]
  1. Department of Physics, Kurukshetra University, Kurukshetra-136119 (Haryana) INDIA (India)
  2. Department of Physics, Dayanand National P.G. College, Hisar-125001 (Haryana) INDIA (India)
  3. Department of Physics, Panjab University, Chandigarh-160014 INDIA (India)
Publication Date:
OSTI Identifier:
22391739
Resource Type:
Journal Article
Journal Name:
AIP Conference Proceedings
Additional Journal Information:
Journal Volume: 1661; Journal Issue: 1; Conference: ICCMP 2014: International Conference on Condensed Matter Physics 2014, Shimla (India), 4-6 Nov 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0094-243X
Country of Publication:
United States
Language:
English
Subject:
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; APPROXIMATIONS; ATOMS; CORRELATIONS; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONIC STRUCTURE; ELECTRONS; ENERGY LEVELS; GRAPHENE; MAGNETIC PROPERTIES; MAGNETISM; MAGNETIZATION; MOLYBDENUM; NANOSTRUCTURES; POTENTIALS; SENSORS; WAVE PROPAGATION

Citation Formats

Thakur, Jyoti, E-mail: jyotidft@gmail.com, Kashyap, Manish K., Singh, Mukhtiyar, and Saini, Hardev S. Electronic and magnetic properties of Mo doped graphene; full potential approach. United States: N. p., 2015. Web. doi:10.1063/1.4915420.
Thakur, Jyoti, E-mail: jyotidft@gmail.com, Kashyap, Manish K., Singh, Mukhtiyar, & Saini, Hardev S. Electronic and magnetic properties of Mo doped graphene; full potential approach. United States. doi:10.1063/1.4915420.
Thakur, Jyoti, E-mail: jyotidft@gmail.com, Kashyap, Manish K., Singh, Mukhtiyar, and Saini, Hardev S. Fri . "Electronic and magnetic properties of Mo doped graphene; full potential approach". United States. doi:10.1063/1.4915420.
@article{osti_22391739,
title = {Electronic and magnetic properties of Mo doped graphene; full potential approach},
author = {Thakur, Jyoti, E-mail: jyotidft@gmail.com and Kashyap, Manish K. and Singh, Mukhtiyar and Saini, Hardev S.},
abstractNote = {The electronic and magnetic properties of Pristine and Mo 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 Mo doping creates magnetism in Graphene by shifting the energy levels at E{sub F} and opens up a channel for Graphene to be used in real nanoscale device applications. The unpaired d-electrons of Mo atom are responsible for induced magnetism in Graphene. Magnetic ordering created in Graphene in this way makes it suitable for recording media, magnetic sensors, magnetic inks and spintronic devices.},
doi = {10.1063/1.4915420},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1661,
place = {United States},
year = {2015},
month = {5}
}