Electronic Structure and Related Band Parameters of Hexagonal Wurtzite Zn{sub 1−x}Mn{sub x}O Magnetic Semiconducting Alloys

The electronic band structure and related band parameters such as, lattice parameters, energy band gaps, density of states and magnetic moment of Zn{sub 1−x}Mn{sub x}O ternary system in the hypothetical hexagonal wurtzite structure have been investigated. The calculations are performed using a full-...

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Bibliographic Details
Published inJournal of superconductivity and novel magnetism Vol. 32; no. 4
Main Authors Moulai, N., Bouarissa, N., Lagoun, B., Kendil, D.
Format Journal Article
LanguageEnglish
Published United States 15.04.2019
Subjects
ALLOYS
CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
DENSITY FUNCTIONAL METHOD
DENSITY OF STATES
DOPED MATERIALS
LATTICE PARAMETERS
MAGNETIC MOMENTS
MAGNETIC SEMICONDUCTORS
MANGANESE ADDITIONS
WAVE PROPAGATION
ZINC OXIDES
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Summary:The electronic band structure and related band parameters such as, lattice parameters, energy band gaps, density of states and magnetic moment of Zn{sub 1−x}Mn{sub x}O ternary system in the hypothetical hexagonal wurtzite structure have been investigated. The calculations are performed using a full-potential linearized augmented plane wave method based on density functional theory in the generalized gradient approximation of Perdew-Burke-Ernzerhof. The evolution of the features of interest with increasing the Mn doping concentration from 0 to 1 in the ZnO structure has been examined and discussed. Our findings show that the behaviour of all studied band parameters with respect to the alloy composition x is consistent with those reported experimentally in the literature. The present study may be useful for spintronics applications.
ISSN:1557-1939
1557-1947