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

Journal Article · Fri May 15 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4915389· OSTI ID:22391711

Saini, G. S. S. ^[1]; Singh, Mukhtiyar ^[2]; Kashyap, Manish K. ^[3]

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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)

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.

• OSTI ID: 22391711
• Journal Information: AIP Conference Proceedings, Vol. 1661, 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); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

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