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
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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