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首页> 外文期刊>Proceedings of the National Academy of Sciences of the United States of America >Signatures of electronic correlations in iron silicide
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Signatures of electronic correlations in iron silicide

机译：硅化铁中电子相关性的特征

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摘要

The intermetallic FeSi exhibits an unusual temperature dependence in its electronic and magnetic degrees of freedom, epitomized by the cross-over from a low-temperature nonmagnetic semiconductor to a high-temperature paramagnetic metal with a Curie-Weiss-like susceptibility. Many proposals for this unconventional behavior have been advanced, yet a consensus remains elusive. Using realistic many-body calculations, we here reproduce the signatures of the metal-insulator cross-over in various observables: the spectral function, the optical conductivity, the spin susceptibility, and the Seebeck coefficient. Validated by quantitative agreement with experiment, we then address the underlying microscopic picture. We propose a new scenario in which FeSi is a band insulator at low temperatures and is metalized with increasing temperature through correlation induced incoherence. We explain that the emergent incoherence is linked to the unlocking of iron fluctuating moments, which are almost temperature independent at short timescales. Finally, we make explicit suggestions for improving the thermoelectric performance of FeSi based systems.
机译：金属间FeSi在其电子和磁性自由度上表现出不同寻常的温度依赖性，其表现为从低温非磁性半导体到具有居里-魏斯磁化率的高温顺磁性金属的转变。已经提出了许多针对这种非常规行为的建议，但仍难以达成共识。使用现实的多体计算，我们在这里以各种可观察的方式重现金属-绝缘体交叉的特征：光谱函数，光导率，自旋磁化率和塞贝克系数。通过与实验的定量协议进行验证，然后我们研究了潜在的微观图片。我们提出了一种新的场景，其中FeSi是低温下的带绝缘子，并通过相关感应的非相干性随着温度的升高而金属化。我们解释说，出现的不连贯性与铁波动时刻的解锁有关，铁波动时刻在短时间内几乎与温度无关。最后，我们为改善基于FeSi的系统的热电性能提出了明确的建议。

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