Electronic structure and lattice dynamics of the magnetic shape-memory alloy Co2NiGa

Article

关键词: CO-NI-GA;    MARTENSITIC PHASE-TRANSITION;    AUGMENTED-WAVE METHOD;    HEUSLER ALLOYS;    AB-INITIO;    CRYSTAL-STRUCTURES;    PHONON-DISPERSION;    SINGLE-CRYSTALS;    SITE PREFERENCE;    INVAR-ALLOYS;   

DOI  :  10.1103/PhysRevB.82.064420

来源: SCIE

【 摘 要 】

In addition to the prototypical Ni-Mn-based Heusler alloys, the Co-Ni-Ga systems have recently been suggested as another prospective materials class for magnetic shape-memory applications. We provide a characterization of the dynamical properties of this material and their relation to the electronic structure within a combined experimental and theoretical approach. This relies on inelastic neutron scattering to obtain the phonon dispersion while first-principles calculations provide the link between dynamical properties and electronic structure. In contrast to Ni2MnGa, where the softening of the TA(2) phonon branch is related to Fermi-surface nesting, our results reveal that the respective anomalies are absent in Co-Ni-Ga, in the phonon dispersions as well as in the electronic structure.

【 授权许可】

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