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Register a new userUnusual electronic and vibrational properties in the colossal thermopower material FeSb$_2$
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The iron antimonide FeSb$_2$ possesses an extraordinarily high thermoelectric power factor at low temperature, making it a leading candidate for cryogenic thermoelectric cooling devices. However, the origin of this unusual behavior is controversial, having been variously attributed to electronic correlations as well as the phonon-drag effect. The optical properties of a material provide information on both the electronic and vibrational properties. The optical conductivity reveals an anisotropic response at room temperature; the low-frequency optical conductivity decreases rapidly with temperature, signalling a metal-insulator transition. One-dimensional semiconducting behavior is observed along the $b$ axis at low temperature, in agreement with first-principle calculations. The infrared-active lattice vibrations are also symmetric and extremely narrow, indicating long phonon relaxation times and a lack of electron-phonon coupling. Surprisingly, there are more lattice modes along the $a$ axis than are predicted from group theory; several of these modes undergo significant changes below about 100 K, hinting at a weak structural distortion or phase transition. While the extremely narrow phonon line shapes favor the phonon-drag effect, the one-dimensional behavior of this system at low temperature may also contribute to the extraordinarily high thermopower observed in this material.
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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$_2$.
We identify the driving mechanism of the gigantic Seebeck coefficient in FeSb$_2$ as the phonon-drag effect associated with an in-gap density of states that we demonstrate to derive from excess iron. We accurately model electronic and thermoelectric transport coefficients and explain the so far ill-understood correlation of maxima and inflection points in different response functions. Our scenario has far-reaching consequences for attempts to harvest the spectacular powerfactor of FeSb$_2$.
The electronic structure and magnetic properties of CrSb$_2$ have been investigated by ab-initio calculations with an emphasis on the role of the magnetic structure for the ground state. The influence of correlation effects has been investigated by performing fixed spin moment (FSM) calculations showing their important role for the electronic and magnetic properties. The details of the electronic structure of CrSb$_2$ are analyzed by a comparison with those of FeSb$_2$. The results obtained contribute in particular to the understanding of the temperature dependence of transport and magnetic behavior observed experimentally.
Kondo insulator FeSb$_2$ with large Seebeck coefficient would have potential in thermoelectric applications in cryogenic temperature range if it had not been for large thermal conductivity $kappa$. Here we studied the influence of different chemical substitutions at Fe and Sb site on thermal conductivity and thermoelectric effect in high quality single crystals. At $5%$ of Te doping at Sb site thermal conductivity is suppressed from $sim 250$ W/Km in undoped sample to about 8 W/Km. However, Cr and Co doping at Fe site suppresses thermal conductivity more slowly than Te doping, and even at 20$%$ Cr/Co doping the thermal conductivity remains $sim 30$ W/Km. The analysis of different contributions to phonon scattering indicates that the giant suppression of $kappa$ with Te is due to the enhanced point defect scattering originating from the strain field fluctuations. In contrast, Te-doping has small influence on the correlation effects and then for small Te substitution the large magnitude of the Seebeck coefficient is still preserved, leading to the enhanced thermoelectric figure of merit ($ZTsim 0.05$ at $sim 100$ K) in Fe(Sb$_{0.9}$Te$_{0.1}$)$_2$.
Quantum nematic phases are analogous to classical liquid crystals. Like liquid crystals, which break the rotational symmetries of space, their quantum analogues break the point-group symmetry of the crystal due to strong electron-electron interactions, as in quantum Hall states, Sr3Ru2O7, and high temperature superconductors. Here, we present angle resolved magnetoresistance (AMRO) measurements that reveal a quantum nematic phase in the hexaboride EuB6. We identify the region in the temperature-magnetic field phase diagram where the magnetoresistance shows two-fold oscillations instead of the expected four-fold pattern. This is the same region where magnetic polarons were previously observed, suggesting that they drive the nematicity in EuB6. This is also the region of the phase diagram where EuB6 shows a colossal magnetoresistance (CMR). This novel interplay between magnetic and electronic properties could thus be harnessed for spintronic applications.
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