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Register a new userUniversal properties of the near-gap spectra of SmB6: dynamical mean-field calculations and photoemission experiments
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Samarium hexaboride (SmB6) has been presumed to show a topological Kondo insulating state consisting of fully occupied quasiparticle bands in the concept of a Fermi liquid. This gap emerging below a small coherence temperature is the ultimate sign of coherence for a many-body system, which in addition induces a non-trivial topology. Here, we demonstrate that just one energy scale governs the gap formation in SmB6, which supports the Fermi liquid description. The temperature dependence of the gap formation in the mixed valence regime is captured within the dynamical mean field (DMFT) approximation to the periodic Anderson model (PAM). The scaling property of the model with the topological coherence temperature provides a strong connection to the photoemission spectra of SmB6. Our results suggest a simple way to compare a model study and an experiment result for heavy fermion insulators.
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Based on a combination of cluster dynamical mean field theory (DMFT) and density functional calculations, we calculated the angle-integrated spectral density in the layered $s=1/2$ quantum magnet TiOCl. The agreement with recent photoemission and oxygen K-edge X-ray absorption spectroscopy experiments is found to be good. Th e improvement achieved with this calculation with respect to previous single-site DMFT calculations is an indication of the correlated nature and low-dimensionality of TiOCl.
Recent renewed interest in the mixed valent insulator SmB6 comes from topological theory predictions and surface transport measurements of possible in-gap surface states whose existence is most directly probed by angle-resolved photoemission spectroscopy (ARPES). Early photoemission leading up to a recent flurry of ARPES studies of in-gap states is reviewed. Conflicting interpretations about the nature of the Sm 4f-5d hybridization gap and observed X-point bands between the f-states and the Fermi level are critically assessed using the important tools of photon polarization and spatial dependence which also provide additional insight into the origin of the more ambiguous {Gamma}-point in-gap states.
We review the basic ideas of the dynamical mean field theory (DMFT) and some of the insights into the electronic structure of strongly correlated electrons obtained by this method in the context of model Hamiltonians. We then discuss the perspectives for carrying out more realistic DMFT studies of strongly correlated electron systems and we compare it with existent methods, LDA and LDA+U. We stress the existence of new functionals for electronic structure calculations which allow us to treat situations where the single--particle description breaks down such as the vicinity of the Mott transition.
We present a study of the tetragonal to collapsed-tetragonal transition of CaFe2As2 using angle-resolved photoemission experiments and dynamical mean field theory-based electronic structure calculations. We observe that the collapsed-tetragonal phase exhibits reduced correlations and a higher coherence temperature due to the stronger Fe-As hybridization. Furthermore, a comparison of measured photoemission spectra and theoretical spectral functions shows that momentum-dependent corrections to the density functional band structure are essential for the description of low-energy quasiparticle dispersions. We introduce those using the recently proposed combined Screened Exchange + Dynamical Mean Field Theory scheme.
The dynamical mean-field theory (DMFT) is a widely applicable approximation scheme for the investigation of correlated quantum many-particle systems on a lattice, e.g., electrons in solids and cold atoms in optical lattices. In particular, the combination of the DMFT with conventional methods for the calculation of electronic band structures has led to a powerful numerical approach which allows one to explore the properties of correlated materials. In this introductory article we discuss the foundations of the DMFT, derive the underlying self-consistency equations, and present several applications which have provided important insights into the properties of correlated matter.
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