Research PaperNo Access

Theoretical investigation of the electronic and thermoelectric behavior of CoV₂O₄ alloy

Mahmoud Al-Elaimi

Department of Basic Sciences, Preparatory Year College, Hail University, Saudi Arabia

E-mail Address: m.alelaimi@gmail.com

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Farida Hamioud

Nottingham College, Science Faculty, UK

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G. I. Ameereh

Department of Physics, College of Science and Humanities, Imam Abdulrahman Bin, Faisal University, P.O. Box 12020, Jubail, Saudi Arabia

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, and

A. A. Mubarak

http://orcid.org/0000-0002-0198-3681

Physics Department, Rabigh College of Science and Art, King Abdulaziz University, Rabigh 21911, Saudi Arabia

E-mail Address: ahmadd_phy@hotmail.com

Corresponding author.

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https://doi.org/10.1142/S2047684119500088Cited by:0 (Source: Crossref)

Abstract

Density functional theory (DFT) within Wien2k code is utilized to compute the mechanical, thermal, electronic, magnetic and thermoelectric properties of the cubic spinel CoV₂O₄. The ground state lattice constant of CoV₂O₄ alloy agrees with previous literature. The calculated elastic constants of CoV₂O₄ predict that the present alloy is anisotropic, elastically stable and brittle. Beneficial acoustical applications are expected for the present alloy due to its high calculated Debye temperature and average sound velocities values. The longitudinal and transverse sound velocities modes of vibrations are found maximum along [110] directions compared to [100] and [111] directions. The calculated DOS and band structure show that CoV₂O₄ is electronically stable. The present alloy possesses a total magnetic moment of 12.0 $μ_{B}$ $μ_{B}$ and is classified as a half-metallic ferromagnet. CoV₂O₄ shows $n$ $n$ -type behavior and favors holes as charge carriers. The present alloy owns beneficial thermoelectric properties and can be used in thermoelectric applications.

Keywords:

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