Related papers: Orbital-Selective Mottness in Layered Iron Oxychal…
Iron-based superconductors (FBS) comprise several families of compounds having the same atomic building blocks for superconductivity, but large discrepancies among their physical properties. A longstanding goal in the field has been to…
We perform a combined experimental-theoretical study of the Fe-oxychalcogenides (FeO$\emph{Ch}$) series La$_{2}$O$_{2}$Fe$_{2}$O\emph{M}$_{2}$ (\emph{M}=S, Se), which is the latest among the Fe-based materials with the potential \ to show…
We discuss the influence on spin-fluctuation pairing theory of orbital selective strong correlation effects in Fe-based superconductors, particularly Fe chalcogenide systems. We propose that a key ingredient for an improved itinerant…
The archetypal $3d$ Mott insulator hematite, Fe$_2$O$_3$, is one of the basic oxide components playing an important role in mineralogy of Earth's lower mantle. Its high pressure-temperature behavior, such as the electronic properties,…
We investigate the magnetic phase diagram of the newly discovered iron-based high temperature oxypnictide superconductors of the type RO$_{1-x}$F$_x $FeAs, with rare earths R=La, Sm, Nd, Pr and Ce by means of {\it ab initio} SGGA and SGGA+U…
We study an inhomogeneous three-orbital Hubbard model for the Cu-substituted iron pnictides using an extended real-space Green's function method combined with density functional calculations. We find that the onsite interactions of the Cu…
Possible superconductivity in recently discovered (Tl,K)Fe$_x$Se$_2$ compounds is studied from the viewpoint of doped Mott insulator. The Mott insulating phase is examined to be preferred in the parent compound at $x=1.5$ due to the…
The path from a Mott insulating phase to high temperature superconductivity encounters a rich set of unconventional phenomena involving the insulator-to-metal transition (IMT) such as emergent electronic orders and pseudogaps that…
Orbital-selective correlations have been observed to play an important role in Fe-based superconductors. Here, in contrast to previous site-local Mott transition-based origins, we present a band-theory-based mechanism for orbital-selective…
We report transient optical signatures of the orbital-selective Mottness in superconducting KxFe2-ySe2 crystals by using dual-color pump-probe spectroscopy. Besides multi-exponential decay recovery dynamics of photo-induced quasiparticles,…
The electronic states near the Fermi level of recently discovered superconductor Ba$_2$CuO$_{4-\delta}$ consist primarily of the Cu $d_{x^2-y^2}$ and $d_{3z^2-r^2}$ orbitals. We investigate the electronic correlation effect and the orbital…
Strong electronic correlations, emerging from the parent Mott insulator phase, are key to copper-based high temperature superconductivity (HTS). By contrast, the parent phase of iron-based HTS is never a correlated insulator. But this…
We investigate the effect of Na intercalation in the layered Mott insulator TiOCl within the framework of density functional theory. We show that the system remains always insulating for all studied Na concentrations, and the evolution of…
Based on recent experiments, we describe the Mott insulating, but undimerized state of $TiOCl$ using the local-density approximation combined with multi-orbital dynamical mean field theory (LDA+DMFT) for this $3d^{1}$ system.Good agreement…
It is widely believed that high-temperature superconductivity in the cuprates emerges from doped Mott insulators. The physics of the parent state seems deceivingly simple: The hopping of the electrons from site to site is prohibited because…
We report on terahertz time-domain spectroscopy on superconducting and metallic iron chalcogenides Rb$_{0.75}$Fe$_{1.6}$Se$_{2-z}$S$_z$. The superconducting transition is reduced from $T_c=$ 32 K ($z=0$) to 22 K ($z=1.0$), and finally…
By means of the first-principle calculations, we have investigated electronic, magnetic properties and correlation effects for the newly discovered layered oxyselenide Na2Fe2Se2O. Our results reveal that the electron correlations in the Fe…
We outline a general mechanism for Orbital-selective Mott transition (OSMT), the coexistence of both itinerant and localized conduction electrons, and show how it can take place in a wide range of realistic situations, even for bands of…
The simultaneous presence of sizable spin-orbit interactions and electron correlations in iridium oxides has led to predictions of novel ground states including Dirac semimetals, Kitaev spin liquids, and superconductivity. Electron and hole…
Monolayer transition metal dichalcogenides are novel, gapped two-dimensional materials. Toward device applications, we consider MoS$_2$ layers on dielectrics, in particular in this work, the effect of vacancies on the electronic structure.…