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Correlation of Computational Potential Energy and Magnetic Anisotropy with Negative Thermal Expansion in TrZr₂ Superconductors

##article.authors##

  • Sudhakar Geruganti INDEPENDENT RESEARCHER

DOI:

https://doi.org/10.31224/4975

Keywords:

Negative thermal expansion, Magnetic anisotropy, TrZr₂ superconductors, Potential energy surfaces, Grüneisen parameters, Lattice dynamics, Spin-lattice coupling, Anomalous thermal conductivity, Multifunctional materials

Abstract

We present a systematic analysis combining computed interatomic potential energy curves and magnetic anisotropy (E*) with experimental negative thermal expansion (NTE) in CoZr₂ and FeZr₂. Our results show strong correlation: FeZr₂ exhibits deeper binding energy wells, stronger magnetic anisotropy, and more pronounced NTE. These insights pave the way for designing superconductors with tailored thermal-mechanical properties

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Posted

2025-07-30

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Copyright (c) 2025 Sudhakar Geruganti

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.