论文标题

DFT模拟的结构,机械,电子,光学和热力学特性的结构,机械,电子,光学和热力学特性yt $ _2 $ _2 $ _2 $(x = co,ni,ni,ru,ru,rh,pd,ir)

Comparative Study of the Structural, Mechanical, Electronic, Optical and Thermodynamic Properties of Superconducting Disilicide YT$_2$Si$_2$ (X=Co, Ni, Ru, Rh, Pd, Ir) by DFT Simulation

论文作者

Rahmana, Md. Atikur, Hasana, Mahbub, Khatuna, Rukaia, Lubnaa, Jannatul Ferdous, Sarkera, Sushmita, Hasan, Md. Zahid, Hasan, Wakil

论文摘要

基于DFT模拟的AB-INITIO方法已执行,以研究超导二酰胺材料的物理特性的比较研究yt $ _2 $ _2 $ si $ _2 $(T = CO,Ni,Ru,Ru,Rh,Rh,Pd,ir)。这是对这些材料的首次比较理论研究,这是通过剑桥串行总能量包模块进行的。

DFT simulation based ab-initio approach has been executed for investigating the comparative study of the physical properties of superconducting disilicide materials YT$_2$Si$_2$ (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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