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Study on thermodynamic, electronic and magnetic properties of \(\hbox {RE}_{2}\hbox {Cu}_{2}\hbox {Cd }(\hbox {RE}=\hbox {Dy}{-}\hbox {Tm})\) intermetallics: first-principle calculation

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Abstract

\(\hbox {RE}_{2}\hbox {Cu}_{2}\hbox {Cd}\) (\(\hbox {RE} =\) heavy rare earth elements: Dy, Ho, Er, Tm) intermetallics show the interesting physical, magnetic and chemical properties with reference to magnetocaloric effect. To explore the relevant complex performance of \(\hbox {RE}_{2}\hbox {Cu}_{2}\hbox {Cd}\) materials, which crystallizes in \(\hbox {Mo}_{2}\hbox {B}_{2}\hbox {Fe}\)-type structure with space group P4/mbm; electronic, magnetic and thermodynamic properties have been studied using first principle theory. Electronic properties, i.e. spin-polarized electron dispersion curves (band structure) and density of state calculations show that \((\hbox {Dy/Ho/Er/Tm})_{2}\hbox {Cu}_{2}\hbox {Cd}\) compounds are metallic with dominant character of Dy-f spin down channels. Whereas magnetic and electron spin-polarization calculations show that studied materials behave like metallic ferromagnet having nearly fully spin-polarized characteristics. The effect of temperature on bulk modulus, B, volume of unit cell, V, entropy, S and specific heat, \(C_\mathrm{v}\) has also been studied using quasi-harmonic Debye model.

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Acknowledgements

One of the authors, Arvind Kumar wants to acknowledge the financial support received from the UGC (F.30-374/2017(BSR)), New Delhi, India.

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Authors and Affiliations

  1. Department of Physics, M.M.H. College, C.C.S. University Meerut, Meerut, 201001, India

    Naveen Kumar, Sachin Kumar & Kamna Yadav

  2. Materials Science Research Lab (Theory and Experimental), Department of Physics, A.R.S.D. College, University of Delhi, New Delhi, 110021, India

    Arvind Kumar & Pawan K Singh

  3. Department of Physics, School of Physical Sciences, Mahatma Gandhi Central University, Motihari, 845401, India

    Neelabh Srivastava

  4. Quantum Computational Lab, Department of Physics, S.S.V. College, C.C.S. University Meerut, Meerut, 245101, India

    Rishi P Singh

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  1. Naveen Kumar
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  2. Sachin Kumar
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  3. Kamna Yadav
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  4. Arvind Kumar
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Correspondence to Arvind Kumar.

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Kumar, N., Kumar, S., Yadav, K. et al. Study on thermodynamic, electronic and magnetic properties of \(\hbox {RE}_{2}\hbox {Cu}_{2}\hbox {Cd }(\hbox {RE}=\hbox {Dy}{-}\hbox {Tm})\) intermetallics: first-principle calculation. Bull Mater Sci 43, 81 (2020). https://doi.org/10.1007/s12034-020-2038-3

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  • DOI: https://doi.org/10.1007/s12034-020-2038-3

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