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FIRST-PRINCIPLES STUDY OF BaFe2-xNixAs2 (x=0,0.125,0.25, q And 2) SUPERCONDUCTOR USING DENSITY FUNCTIIONAL THEORY /

The aim of this study is to verify electronic features contributed to Fe-SC. This is done by calculating various electronic phase properties of BaFe2-xNixAs2 using Density Functional Theory (DFT).

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Bibliographic Details
Main Author: Kamaliati Hanum Kamaruddin (Author)
Corporate Author: Universiti Pertahanan Nasional Malaysia Centre for Graduate Studies
Format: Thesis Book
Language:English
Published: Kuala Lumpur : Fakulti Pengajian Dan Pengurusan Pertahanan UPNM, 2022.
Series:Tesis
Thesis
Subjects:
Superconductors
Superconductivity
Mathematical physics
Density functionals
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Table of Contents:
  • Chapter 1 : Introduction
  • Chapter 2 : Literature Review
  • Chapter 3 : Computational Method
  • Chapter 4 : Comparative Studies of Structural, Magnetic , Electronic Properties And Charge Distribution Of BaFe2-xNixAs2 (x = 0, 1, 2)
  • Chapter 5 : Comparative Studies of Structural, Magnetic , Electronic Properties And Charge Distribution Of BaFe2-xNixAs2 (x = 0, 0.125, 0.25)
  • Chapter 6 : Comparative Studies of Phonon Properties And Superconductivity of BaFe2-xNixAs2 (x = 0.125, 2)
  • Chapter 7 : Conclusion And Future Direction

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