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

机译:磁性形状记忆合金Co2NiGa的电子结构和晶格动力学

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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 TA2 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.
机译:除了典型的基于Ni-Mn的Heusler合金外,最近还建议将Co-Ni-Ga系统用作磁性形状记忆应用的另一类预期材料。我们结合实验和理论方法,对这种材料的动力学特性及其与电子结构的关系进行了表征。这依靠非弹性中子散射来获得声子色散,而第一性原理计算则提供了动力学性质和电子结构之间的联系。与Ni2MnGa相比,TA2声子分支的软化与费米表面嵌套有关,我们的结果表明,Co-Ni-Ga,声子分散体以及电子结构中均不存在相应的异常。

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