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First Principle Electronic, Magnetic, and Thermodynamic Characterization of Gd₂Cu₂X (X= Cd, In, Mg)Isostructural Ternary Alloys

Naveen Kumar*, Sachin Kumar**, Kamna Yadav***, Jyoti Sagar ****, Dr. Ali JbaeerDawood*****

*-*** Department of Physics, M. M. H. College, Ghaziabad, Uttar Pradesh, India.

**** Department of Chemistry, S. S. V. College, Hapur, Uttar Pradesh, India.

***** Department of Physics, S. S. V. College, Hapur, Uttar Pradesh, India.

Periodicity:July - September'2019
DOI : https://doi.org/10.26634/jms.7.2.15646

Abstract

Ternary Rare earth transition metal alloys with 2:2:1 stoichiometry, viz. RE₂Cu₂X (RE= Rare earth, X= Cd, In, Mg) are used in the magnetic refrigeration technology due to their unique magnetic and physical properties. For more future aspect of technological applications, Gd₂Cu₂X (X= Cd, In, Mg) alloys have been preferred from RE₂Cu₂X series to study the spin polarized electronic, magnetic, and thermodynamic properties using first principal theory. The spin polarized electronic behavior of Gd₂Cu₂X (X= Cd, In, Mg) shows that Gd-f orbital electrons play main role in the electronic conduction and magnetization. Magnetic calculations show high accuracy with available experimental/theoretical literature values on these materials. Thermodynamic calculations have been carried out in the wide temperature and pressure range for the first time.

Keywords

Electronic Structure, Magnetic Properties, Thermodynamic Properties.

How to Cite this Article?

Kumar, N., Kumar, S., Yadav, K., Sagar, J., and Singh, R. P. (2019). First Principle Electronic, Magnetic and Thermodynamic Characterization of Gd₂Cu₂X (X= Cd, In, Mg) Isostructural Ternary Alloys. i-manager’s Journal on Material Science, 7(1), 18-34. https://doi.org/10.26634/jms.7.2.15646

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First Principle Electronic, Magnetic, and Thermodynamic Characterization of Gd₂Cu₂X (X= Cd, In, Mg)Isostructural Ternary Alloys

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First Principle Electronic, Magnetic, and Thermodynamic Characterization of Gd2Cu2X (X= Cd, In, Mg)Isostructural Ternary Alloys

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First Principle Electronic, Magnetic, and Thermodynamic Characterization of Gd₂Cu₂X (X= Cd, In, Mg)Isostructural Ternary Alloys