skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor

Abstract

The electronic and magnetic properties of Ni-doped CeO{sub 2} diluted amgentic semiconductor (DMS) including the effect of oxygen vacancy (V{sub o}) with doping concentration, x = 0.125 have been calculated using FPLAPW method based on Density Functional Theory (DFT) as implemented in WIEN2k. In the present supercell approach, the XC potential was constructed using GGA+U formalism in which Coulomb correction is applied to standard GGA functional within the parameterization of Perdew-Burke-Ernzerhof (PBE). We have found that the ground state properties of bulk CeO{sub 2} compound have been modified significantly due to the substitution of Ni-dopant at the cation (Ce) site with/without V{sub O} and realized that the ferromagnetism in CeO{sub 2} remarkably depends on the V{sub o} concentrations. The presence of V{sub o}, in Ni-doped CeO{sub 2}, can leads to strong ferromagnetic coupling between the nearest neighboring Ni-ions and induces a HMF in this compound. Such ferromagnetic exchange coupling is mainly attributed to spin splitting of Ni-d states, via electrons trapped in V{sub o}. The HMF characteristics of Ni-doped CeO{sub 2} including V{sub o} makes it an ideal material for spintronic devices.

Authors:
;  [1];  [2];  [3]
  1. Department of Physics, Panjab University, Chandigarh-160014 INDIA (India)
  2. Department of Physics, Dayanand National P.G. College, Hisar-125001 (Haryana) INDIA (India)
  3. Department of Physics, Kurukshetra University, Kurukshetra-136119 (Haryana) INDIA (India)
Publication Date:
OSTI Identifier:
22391711
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; CATIONS; CERIUM OXIDES; CONCENTRATION RATIO; COULOMB CORRECTION; COUPLING; D STATES; DENSITY FUNCTIONAL METHOD; DOPED MATERIALS; ELECTRONS; FERROMAGNETISM; GROUND STATES; MAGNETIC PROPERTIES; MAGNETIC SEMICONDUCTORS; METALLICITY; NICKEL IONS; OXYGEN; POTENTIALS; SPIN; TRAPPING; VACANCIES

Citation Formats

Saini, Hardev S., E-mail: hardevdft@gmail.com, Saini, G. S. S., Singh, Mukhtiyar, and Kashyap, Manish K. Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor. United States: N. p., 2015. Web. doi:10.1063/1.4915389.
Saini, Hardev S., E-mail: hardevdft@gmail.com, Saini, G. S. S., Singh, Mukhtiyar, & Kashyap, Manish K. Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor. United States. doi:10.1063/1.4915389.
Saini, Hardev S., E-mail: hardevdft@gmail.com, Saini, G. S. S., Singh, Mukhtiyar, and Kashyap, Manish K. Fri . "Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor". United States. doi:10.1063/1.4915389.
@article{osti_22391711,
title = {Effect of oxygen vacancy on half metallicity in Ni-doped CeO{sub 2} diluted magnetic semiconductor},
author = {Saini, Hardev S., E-mail: hardevdft@gmail.com and Saini, G. S. S. and Singh, Mukhtiyar and Kashyap, Manish K.},
abstractNote = {The electronic and magnetic properties of Ni-doped CeO{sub 2} diluted amgentic semiconductor (DMS) including the effect of oxygen vacancy (V{sub o}) with doping concentration, x = 0.125 have been calculated using FPLAPW method based on Density Functional Theory (DFT) as implemented in WIEN2k. In the present supercell approach, the XC potential was constructed using GGA+U formalism in which Coulomb correction is applied to standard GGA functional within the parameterization of Perdew-Burke-Ernzerhof (PBE). We have found that the ground state properties of bulk CeO{sub 2} compound have been modified significantly due to the substitution of Ni-dopant at the cation (Ce) site with/without V{sub O} and realized that the ferromagnetism in CeO{sub 2} remarkably depends on the V{sub o} concentrations. The presence of V{sub o}, in Ni-doped CeO{sub 2}, can leads to strong ferromagnetic coupling between the nearest neighboring Ni-ions and induces a HMF in this compound. Such ferromagnetic exchange coupling is mainly attributed to spin splitting of Ni-d states, via electrons trapped in V{sub o}. The HMF characteristics of Ni-doped CeO{sub 2} including V{sub o} makes it an ideal material for spintronic devices.},
doi = {10.1063/1.4915389},
journal = {AIP Conference Proceedings},
issn = {0094-243X},
number = 1,
volume = 1661,
place = {United States},
year = {2015},
month = {5}
}