Prof. Dr. Jabbar Mansour Khalaf, a lecturer in the Department of Physics at the College of Education for Pure Sciences at the University of Basra, and doctoral student Hassan Ibrahim Askar published a paper entitled

A study half-metallic surfaces of the full-Heusler Sc2CrGe compound and the interface of Sc2CrGe/InSb (111)

In: Journal of Electron Spectroscopy and Related Phenomena

Impact factor: 1.957

In the Elsevier publisher

It is included in the container: Clarvet and Scopus

Summary

Our study showed that the complete Heussler alloy Sc2CrGe exhibits a ferromagnetic half-metal with an energy gap of eV0.57 and a semi-metallic gap of eV0.12 in the majority twist channel at the lattice equilibrium constant of 6.5 Å. In this study, we have extensively investigated the electronic and magnetic properties of (111), (001), (110) surfaces and boundary boundaries with InSb(111) semiconductors by applying first-principles calculations of density functional theory. The density of states confirms that the half-metallic property detected in the volume Sc2CrGe is preserved at the Sc(2)Ge- end of the (001) surface and at the Sc(1)- and Ga- ends of the (111) surface, but is destroyed at the Sc ends) 2)- and Cr from surface (111) and at the end of Sc(2)Cr- from surface (001) and at the end of Sc2CrGe- from surface (110). For the Sc2CrGe/InSb boundary, the half-metal breaks down at the arrangements: Ge-In, Sc(1)-In and Sc(1)-Sb, while the Ge-Sb structure shows complete spin polarization. Moreover, the adhesion energy shows that the Sc(1)-Sb structure is more stable than the other structures. The calculated magnetic moment of the boundary atoms (Sc and Ge) decreases compared to their corresponding size values.