Browsing by Author "M. Naeem Nawaz"

Now showing 1 - 1 of 1
  • Thumbnail Image
    Item
    An attempt to explicate the influence of pressure on PrFeO3 ferromagnet for spintronic devices using DFT approach
    (UMT, Lahore, 2023) M. Naeem Nawaz
    A theoretical analysis of the structural, elastic, mechanical, thermal, and electronic properties of the magnetic perovskite PrFeO3 under pressure (0-50) GPa is given in this paper. Based on common stability criteria such as energy optimizations, tolerance factor, and mechanical stability requirements, the examined structures demonstrated stable responses. When compared to accessible literature, the standard structural characteristics have demonstrated outstanding comparative dependability, particularly under ambient settings. Mechanical investigation has revealed that the modulus of elasticity improves structural stability and is linearly related to applied pressure. Furthermore, the pressure treatment revealed the ductile character of the compounds as well as improved conducting capabilities. Both compounds have showed a band gap transition from indirect to direct phase in agreement with the Moss Burstein shift in electronic characteristics.