ABSTRACT
In the current work, we embarked on an extensive investigation into the properties of a ferromagnetic quaternary Heusler alloy labeled as CoRhMnSi. Utilizing first-principle calculations and leveraging the QUANTUM ESPRESSO code, with the aim to uncover the intricate nuances of this material's structural, electronic, mechanical, and vibrational attributes.
This research commenced with a meticulous examination of CoRhMnSi's atomic arrangements, aiming to decipher its fundamental structural framework. Following this, electronic band structure calculations revealed compelling insights, portraying CoRhMnSi as a Quaternary Heusler Alloy exhibiting metallic properties. This discovery not only enriches our understanding of its electronic behavior but also hints at its potential utility in various electronic devices and related applications.
Transitioning to mechanical stability, the research is conducted with thorough analysis to assess CoRhMnSi's mechanical robustness. Our findings indicated notable ductility within the alloy, suggesting promising avenues for its application in scenarios requiring resilience and flexibility. This newfound understanding of its mechanical behavior lays a solid foundation for future engineering endeavors aimed at leveraging its advantageous properties.
Moreover, in the research we also enter into the vibrational properties of CoRhMnSi, shedding light on its dynamic characteristics. Through an exploration of vibrational modes and frequencies, valuable insights into its thermodynamic stability and phonon behavior were gained, providing essential knowledge for guiding experimental investigations and technological applications.
