Ab Initio Investigation of Structural, Electronic, and Magnetic Properties of Cr-Doped ZnS and ZnSe in Wurtzite Structure

Journal Article · Fri Feb 15 04:00:00 EST 2019 · Journal of Superconductivity and Novel Magnetism

DOI:https://doi.org/10.1007/S10948-018-4731-7· OSTI ID:22919598

Cheref, O.; Merabet, M.; Benalia, S.; Bettaher, N.; Djoudi, L. ^[1]

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1. Université Djillali Liabès de Sidi-Bel-Abbès, Laboratoire des Matériaux Magnétiques, Faculté des Sciences (Algeria)

Using the first-principles calculations with the full potential linear muffin–tin orbital (FP-LMTO) method, we investigated the structural, electronic, and magnetic properties of Zn{sub 1−x}Cr{sub x}(S,Se)-diluted magnetic semiconductors (DMSs) in wurtzite structures with varying concentrations (x = 0.0625, x = 0.125, and x = 0.25) of Cr. The electronic properties indicated that Zn{sub 1−x}Cr{sub x}(S,Se), in all concentrations, exhibited half-metallic ferromagnetic (HMF) behavior with spin polarization of 100%. The density of states showed a hybridization between the p(S, Se) and 3d(Cr) states, which created an antibonding state in the gap that stabilized the ferromagnetic ground state linked to the double-exchange mechanism. Therefore, these compounds are highly likely candidates for spintronic applications.

• OSTI ID: 22919598
• Journal Information: Journal of Superconductivity and Novel Magnetism, Journal Name: Journal of Superconductivity and Novel Magnetism Journal Issue: 2 Vol. 32; ISSN 1557-1939
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
CHROMIUM ADDITIONS
DENSITY OF STATES
DOPED MATERIALS
GROUND STATES
HYBRIDIZATION
MAGNETIC PROPERTIES
MAGNETIC SEMICONDUCTORS
SPIN ORIENTATION
ZINC SELENIDES
ZINC SULFIDES