First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound

Noorhan F. AlShaikh Mohammad; Mohammed S. Abu-Jafar; Jihad Asad; A. Bouhemadou; Ahmad A. Mousa; R. Khenata; Abdullah Chik

doi:10.1007/s11082-024-07002-5

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First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound

Noorhan F. AlShaikh Mohammad Mohammed S. Abu-Jafar Jihad Asad A. Bouhemadou Ahmad A. Mousa R. Khenata Abdullah Chik

Year: 2024 Journal: Optical and Quantum Electronics Vol: 56 (6) Publisher: Springer Science+Business Media

DOI: 10.1007/s11082-024-07002-5

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Keywords:

WIEN2k Density functional theory Materials science Thermoelectric effect Electronic structure Heusler compound Magnetic moment Condensed matter physics Electronic band structure Work (physics) Band gap Deformation (meteorology) Stiffness Local-density approximation Computational chemistry Physics Thermodynamics Optoelectronics Chemistry Composite material

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Heusler alloys: electronic and magnetic properties

Physical Sciences → Materials Science → Electronic, Optical and Magnetic Materials

2D Materials and Applications

Physical Sciences → Materials Science → Materials Chemistry

MXene and MAX Phase Materials

Physical Sciences → Materials Science → Materials Chemistry

First-principles calculations of structural, elastic, electronic, magnetic, optical, thermoelectric, and dynamic properties of CoCrTe half-Heusler compound

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