Anisotropic Correlated Electronic Structure of Colossal Thermopower Marcasite FeSb${}_2$

Abstract

Iron antimonide (FeSb${}_2$) is a mysterious material with peculiar colossal thermopower of about $-45$ mV/K at 10 K. However, a unified microscopic description of this phenomenon is far from being achieved. The understanding of the electronic structure in details is crucial in identifying the microscopic mechanism of FeSb${}_2$ thermopower. Combining angle-resolved photoemission spectroscopy (ARPES) and first-principles calculations we find that the spectrum of FeSb${}_2$ consists of two bands near the Fermi energy: the nondispersive strongly renormalized $\alpha$-band, and the hole-like $\beta$-band that intersects the first one at $\Gamma$ and Y points of the Brillouin zone. Our study reveals the presence of sizable correlations, predominantly among electrons derived from Fe-3d states, and considerable anisotropy in the electronic structure of FeSb${}_2$. These key ingredients are of fundamental importance in the description of colossal thermopower in FeSb${}_2$.

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• Electron-hole dichotomy and enhancement of thermoelectric power factor by electron-hole-asymmetric relaxation time: a model study on a two-valley system with strong intervalley scattering
• Surface Conductivity in Antiferromagnetic Semiconductor CrSb${}_2$
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• Prototypical many-body signatures in transport properties of semiconductors
• Origin of anomalous temperature dependence of Nernst effect in narrow-gap semiconductors