Anomalous Hall and Nernst Conductivities in Co2NbGa: A first principles study

Abstract The ground state electronic, magnetic and elastic properties of Co 2 NbGa are studied using first-principles calculations. The investigated system is mechanically and dynamically stable which is confirmed through Born mechanical stability criteria and positive phonon modes. Two kinds of disorders B2 and D 0 3 -types are studied to ensure the experimental magnetic moment in Co 2 NbGa within coherent potential approximation(CPA). The intrinsic anomalous Hall effect and anomalous Nernst effect are analysed from the Berry curvature point of view. The values of anomalous Hall conductivity and anomalous Nernst conductivity are 214.2 S/cm and −2.53 Am-1K-1 within the range of ± 300 meV around Fermi level respectively, and the same are comparable with the values of other Heusler alloys. The Curie temperature ( T C ) is estimated up to 548.7 K through the Heisenberg magnetic exchange interactions within mean-field approximation. Half-metal to a metal transition under pressure is evidenced through band structure and Fermi surface topology. Also the magnetic, Heisenberg exchange, elastic properties are probed under pressure.