Heavy fermion metal–Kondo insulator transition in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">FeSi</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn><mml:mi>−</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">Al</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>

DiTusa, J. F.; Friemelt, K.; Bücher, E.; Aeppli, G.; Ramirez, A. P.

doi:10.1103/physrevb.58.10288

Cited by 61 publications

(68 citation statements)

References 69 publications

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“…Based on our results it is plausible to assume that noticeable electronic reconstruction occurs in pressurized BP. These results strengthen the view that bulk BP is a correlated semiconductor proximate to a Kondo metal [45].…”

Section: B Electrical and Thermal Transport Properties Of Pure And Dsupporting

confidence: 79%

Electronic structure and thermoelectric transport of black phosphorus

2017

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We investigate anisotropic electronic structure and thermal transport properties of bulk black phosphorus (BP). Using density functional dynamical mean-field theory we first derive a correlation-induced electronic reconstruction, showing band-selective Kondoesque physics in this elemental p-band material. The resulting correlated picture is expected to shed light onto the temperature and doping dependent evolution of resistivity, Seebeck coefficient, and thermal conductivity, as seen in experiments on bulk single crystal BP. Therein, large anisotropic particle-hole excitations are key to consistently understand thermoelectric transport responses of pure and doped BP.

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Section: B Electrical and Thermal Transport Properties Of Pure And Dsupporting

confidence: 79%

Electronic structure and thermoelectric transport of black phosphorus

2017

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“…Other interpretations have likened the anomalies to those observed in Kondo insulators (11,12,35), but this point of view has recently been challenged by detailed angle-resolved photoemission measurements, which are in very good agreement with the itinerant band structure description from DFT (32,33). Our AIMD calculations go beyond static DFT calculations and account for the temperature dependence of the gap measured with ellipsometry (19), and the broadening of features with increasing T observed in photoemission measurements (30)(31)(32)36) (taking into account the difference in temperature scale mentioned above).…”

Section: Ab Initio Molecular Dynamicsmentioning

confidence: 99%

“…FeSi has attracted a great deal of interest as it exhibits an insulator-metal transition with increasing temperature, and many of its physical properties show anomalous temperature dependences, including the magnetic susceptibility, heat capacity, Seebeck coefficient, thermal expansion, and elastic properties (6)(7)(8)(9)(10)(11). Recently, it has been argued that doping FeSi with Al can lead to a surprising heavy-Fermion metal (12).…”

mentioning

confidence: 99%

Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder

Delaire

Marty

Stone

et al. 2011

Proc. Natl. Acad. Sci. U.S.A.

110

109

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The vibrations of ions in solids at finite temperature depend on interatomic force-constants that result from electrostatic interactions between ions, and the response of the electron density to atomic displacements. At high temperatures, vibration amplitudes are substantial, and electronic states are affected, thus modifying the screening properties of the electron density. By combining inelastic neutron scattering measurements of Fe 1−x Co x Si as a function of temperature, and finite-temperature first-principles calculations including thermal disorder effects, we show that the coupling between phonons and electronic structure results in an anomalous temperature dependence of phonons. The strong concomitant renormalization of the electronic structure induces the semiconductor-to-metal transition that occurs with increasing temperature in FeSi. Our results show that for systems with rapidly changing electronic densities of states at the Fermi level, there are likely to be significant phonon-electron interactions, resulting in anomalous temperature-dependent properties.electron-phonon coupling | metal-insulator transition | thermoelectrics B ecause many properties of the solid state derive from the electronic structure (1), understanding finite temperature effects on the band structure is crucial to accurately describe materials in realistic operating conditions. The effects of thermal disorder on the electronic structure of materials at high temperature are largely unexplored, however, and the role of the electron-phonon interaction above room temperature has remained controversial (2-5). We performed detailed investigations of the phonons and electronic structure in Fe 1−x Co x Si and found that an adiabatic coupling can lead to pronounced anomalies in the temperature dependence of both phonons and electron states. The mechanism is general and could affect a broad class of materials, including narrow-gap semiconductors, superconductors, heavy-Fermion compounds, and thermoelectrics.FeSi has attracted a great deal of interest as it exhibits an insulator-metal transition with increasing temperature, and many of its physical properties show anomalous temperature dependences, including the magnetic susceptibility, heat capacity, Seebeck coefficient, thermal expansion, and elastic properties (6-11). Recently, it has been argued that doping FeSi with Al can lead to a surprising heavy-Fermion metal (12). FeSi has also attracted attention as a possible reaction product at Earth's core-mantle boundary (13-16), and as a candidate thermoelectric material for refrigeration applications (9). The compounds FeSi and CoSi are isostructural, crystallizing in the cubic B20 structure, with similar ion coordinates (17, 18). Although FeSi undergoes a gradual transition from narrow-gap semiconductor (E gap ∼ 0.1 eV) to metal with increasing temperature, the additional d electron in CoSi leads to a metallic state at all temperatures. The anomalous temperature dependences observed in FeSi are absent in CoSi.Here, we show that the adia...

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“…Experimentally, ferromagnetism was indeed observed by doping both FeSb 2 and FeSi: doping the latter compound by 25% Ge, one observes a first order phase transition from a paramagnetic semiconductor into a ferromagnetic metal [22]; doping Te [23] or Co [24] into FeSb 2 also results in ferromagnetic metallic states. Furthermore, like FeSi can be transformed into a heavy fermion metal by Al doping [25], FeSb 2 changes into a metallic state with strongly enhanced quasiparticle mass (10 − 20 times of m 0 ) by slight Te doping [26]. Note that Te substitution for Sb is non-isoelectronic and adds one electron / Te atom to the conduction band.…”

Section: Introductionmentioning

confidence: 99%

Strong electron correlations in FeSb₂

et al. 2011

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FeSb2 has been recently identified as a new model system for studying many‐body renormalizations in a d‐electron based narrow gap semiconducting system, strongly resembling FeSi. The electron‐electron correlations in FeSb2 manifest themselves in a wide variety of physical properties including electrical and thermal transport, optical conductivity, magnetic susceptibility, specific heat and so on. We review some of the properties that form a set of experimental evidences revealing a significant role of correlation effects in FeSb2. The metallic state derived from slight Te doping in FeSb2, which exhibits a large quasiparticle mass, will also be introduced.

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Heavy fermion metal–Kondo insulator transition inFeSi1−xAlx

Cited by 61 publications

References 69 publications

Electronic structure and thermoelectric transport of black phosphorus

Electronic structure and thermoelectric transport of black phosphorus

Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder

Strong electron correlations in FeSb₂

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Heavy fermion metal–Kondo insulator transition inFeSi1−xAlx

Cited by 61 publications

References 69 publications

Electronic structure and thermoelectric transport of black phosphorus

Electronic structure and thermoelectric transport of black phosphorus

Phonon softening and metallization of a narrow-gap semiconductor by thermal disorder

Strong electron correlations in FeSb2

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Strong electron correlations in FeSb₂