Comparative Study of the Structural, Mechanical, Electronic, Optical and Thermodynamic Properties of Superconducting Disilicide YT₂Si₂ (X=Co, Ni, Ru, Rh, Pd, Ir) by DFT Simulation

2022/11/19 by Md. Atikur Rahmana, Mahbub Hasana, Rahmana, Md. Atikur +11
Materials Science · Physics and Astronomy · #FOS: Physical sciences #Metallurgical and Alloy Processes #Semiconductor materials and interfaces #Superconductivity (cond-mat.supr-con) #Surface and Thin Film Phenomena

paper · pdf · doi:10.48550/arxiv.2211.10637

openalex publication_date 2022/11/19 · openalex created_date 2022/11/29 · openalex updated_date 2026/07/28

Abstract

DFT simulation based ab-initio approach has been executed for investigating the comparative study of the physical properties of superconducting disilicide materials YT₂Si₂ (T= Co, Ni, Ru, Rh, Pd, Ir). This is the first comparative theoretical investigation of these materials, which is done through Cambridge Serial Total Energy Package module.

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