Prof. Dr. Jabbar Mansour Khalaf, a lecturer in the Physics Department of the College of Education for Pure Sciences at the University of Basra, and a doctoral student, Hassan Ibrahim Askar, published a paper entitled
Electronic structure and magnetic properties of the (111), (110) and (001) surfaces for the full Heusler alloy Zr2VGa
In: Journal of Superconductivity and Novel Magnetism
Impact factor: 1.506
In the publishing house: Springer
It is included in the container: Clarvet and Scopus
Summary
In this paper, the electronic and magnetic properties of (111), (001) and (110) surfaces of Zr2VGa alloy are studied by first principles calculations based on density functional theory. Calculations indicate that the perfect Heussler alloy Zr2VGa exhibits a semimetallic behavior with a total throw magnetic moment of B μ 2.0 at a lattice equilibrium constant of Ǻ6.657. The energy bandgap is 0.28 eV at the Fermi level. Weak relaxation was obtained at the ends of the (111) and (001) surfaces which means that the ends are stable. However, the strongest relaxation was at the surface (110). When examining the density of the electronic states, half of the verified metal in size Zr2VGa destroyed at the (111), (001) and (110) surfaces was identified. Moreover, it was found that the magnetic moments of atomic spins at the Zr(2)-Ga- end of the (001) surface decrease compared to those at the Zr2VGa-sized, while the magnetic moments at the Zr(1)- and V- ends of the (111) surface are increased. .
