In: Physical Review Materials, 2018, vol. 2, no. 10, p. 105001
Optical conductivity measurements on a BaCoS2 single crystal unveil an unusual linear behavior over a broad spectral range. In the paramagnetic phase above 300 K, the spectrum shows no gap, which contradicts the previously proposed scenario of a charge-transfer Mott insulator. Ab initio dynamical mean field theory calculations including a retarded Hubbard interaction explain the data in terms...
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In: Physical Review B, 2014, vol. 90, no. 11, p. 115435
We propose an electron-phonon parametrization which is constructed to reproduce target geometry and harmonic frequencies taken from first principles calculations or experiment. With respect to standard electron-phonon models, it adds a “double-counting” correction, which takes into account the lattice deformation as the system is dressed by low-energy electron-phonon processes. We show the...
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In: Nature Physics, 2012, vol. 8, p. 331–337
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