A comparative study of a Heusler alloy Co2FeGe using LSDA and LSDA+U

Anomalous Hall effect from gapped nodal line in Co2FeGe Heusler compound

“…2a.The magnetic moment was found to be 5.38 µ B /f.u and 5.24 µ B /f.u at 2 K and 300 K, respectively. The observed magnetic moment is well agreement with the literature [56,57] as well as our theoretical calculation (discussed later). The variation of longitudinal resistivity (ρ xx ) as a function of temperature from 10 K to 300 K is shown in Fig.…”

Half-metallicity in new Heusler alloys Mn2ScZ (Z = Si, Ge, Sn)

“…[73][74][75][76] The system dependent U term is calculated based on Hubbard Hamiltonian model (eqn (1)) for the onsite Coulomb repulsion. 55,67,68…”

“…62,63 At present there are large number of studies in case of Heusler alloys in which calculation of U value and its effect on the electronic and magnetic properties are reported. [64][65][66] A clear implication of U calculation and its inuence on Heusler alloys to predict exact ground state properties can be found from the studies carried out by Rai et al 67,68 The effect of electron correlation in Heusler alloys are evident from the above literature and it is expected to have signicant impact on alloys where highly localized d orbitals based transition metals Mn and Sc are present whose exact ground state properties are yet unexplored. Hence, in view of importance of DFT+U calculation in the material research, an effort have been made to investigate the half metallic behaviour of highly localized Mn and Sc based sample alloys Mn 2 ScZ (Z ¼ Si, Ge and Sn) by adding U correction for 3d electrons of Mn and Sc.…”

Investigation of structural, electronic and magnetic properties of 1:1:1:1 stoichiometric quaternary Heusler alloys YCoCrZ (Z=Si, Ge, Ga, Al): An ab-initio study

“…The spin polarization that can be defined as the ratio of the difference to sum of the DOS values of spin up and spin down version at the Fermi-level [21,[29][30][31], represented by mathematical formulation as a percent;…”