Electronic Band Structure and Fermi Surface Analysis of Ce2 Ni1-Xcoxge2: A Pseudo Potential Study

Abstract

This study uses pseudopotential calculations to investigate the electronic band structure and Fermi surface properties of Ce2Ni1-xCoxGe2 alloys. The research problem centers on understanding the effects of Co substitution on the electronic properties of these alloys, particularly regarding potential high-temperature superconducting behavior. The methodology involves density of states (DOS) analysis and Fermi surface calculations for Ce2Ni1-xCoxGe2 alloys with varying Co concentrations. Results reveal a notable increase in DOS around the Fermi level with increasing Co substitution, indicative of enhanced metallic behavior and potential superconducting characteristics. Additionally, band structure analyses demonstrate the significant role of hybridization between Ce 4f, Ni/Co 3d, and Ge 4s/4p orbitals in determining electronic behavior. Fermi surface calculations unveil a transition from near-spherical to complex 2D and 3D shapes with higher Co concentrations, suggesting modifications in Fermi energy surface nestings or electron scattering. This study's conclusions emphasized the intricate electronic structure of Ce2Ni1-xCoxGe2 alloys and highlighted the potential for further exploration in high-temperature super conductivity research.