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

Volume 7 Issue 2 July - September 2019

Research Paper

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

Naveen Kumar*, Sachin Kumar**, Kamna Yadav***, Jyoti Sagar ****, Rishi Pal Singh *****

* _*** 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.

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), 26-38

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.