Related papers: Dimensionality, nematicity and Superconductivity i…
Single crystals of Fe(1+x)Te(1-y)Se(y) have been grown with a controlled Fe excess and Se doping, and the crystal structure has been refined for various compositions. The systematic investigation of magnetic and superconducting properties…
Using density functional plus dynamical mean-field theory method (DFT+DMFT) with full self-consistency over the charge density, we study the effect of electronic correlations on the electronic structure, magnetic properties,…
Superconductivity in FeSe is strongly enhanced under applied pressure and it is proposed to emerge from anomalously coupled structural and magnetic phases. Small impurities inside the Fe plane can strongly disrupt the pair formation in FeSe…
The search for chiral topological superconductivity in magnetic topological insulator (TI)-FeTe heterostructures is a key frontier in condensed matter physics, with potential applications in topological quantum computing. The combination of…
A subtle balance between competing interactions in strongly correlated systems can be easily tipped by additional interfacial interactions in a heterostructure. This often induces exotic phases with unprecedented properties, as recently…
The superconductivity discovered in iron-pnictides is intimately related to a nematic ground state, where the C4 rotational symmetry is broken via the structural and magnetic transitions. We here study the nematicity in NaFeAs with the…
Since the discovery of superconductivity in the Fe(Te,Se) system, it has been a general consensus that the end member of FeTe is not superconducting. Nonetheless, in recent years, there have been reports of superconducting FeTe films, but…
We compute the electronic structure, momentum resolved spectral function and optical conductivity of the new superconductor LaO$_{1-x}$F$_x$FeAs within the combination of the Density functional theory and the Dynamical Mean Field Theory. We…
The sulfur substituted FeSe system, FeSe$_{1-x}$S$_{x}$, provides a versatile platform for studying the relationship between nematicity, antiferromagnetism, and superconductivity. Here, by nuclear magnetic resonance (NMR) and resistivity…
The influence of tensile strain in the ab-plane on crystal and electronic structure of FeTe has been studied ab initio. In superconducting FeSe the Fermi surface nesting with a vector q~(0.5,0.5)(2\pi /a) is believed to be crucial for…
The electronic energy structures and magnetic properties of iron-based compounds with group VI elements (FeTe, BiFeO$_3$, SrFe$_{12}$O$_{19}$ and SrCoTiFe$_{10}$O$_{19}$) are studied using the density functional theory (DFT) methods.…
The role of electronic correlations in Condensed Matter is at the heart of various important systems, like magnetic materials, superconductors, topological materials, optical lattices, etc. Electronic correlations are those which change the…
The electronic structure and intrinsic magnetic properties of $\text{Fe}_2\text{AlB}_2$-related compounds and their alloys have been investigated using density functional theory. For $\text{Fe}_2\text{AlB}_2$, the crystallographic $a$ axis…
Ferroquadrupole order associated with local $4f$ atomic orbitals of rare earth ions is a realization of electronic nematic order. However, there are relatively few examples of intermetallic materials which exhibit continuous ferroquadrupole…
Electronic structure calculations are presented for KCo$_2$As$_2$ and alloys with KFe$_2$As$_2$ and KRu$_2$As$_2$. These materials show electronic structures characteristic of coherent alloys, with a similar Fermi surface structure to that…
Exchange couplings are fundamental to our understanding of many physical phenomena in condensed matter physics and material science. Model systems provide a controlled environment to investigate such phenomena, effectively. In this study,…
Clarifying the origin of nematic state in FeSe is one of urgent problems in the field of iron-based superconductivity. Motivated by the discovery of a nematic solution in the density-functional theory implemented by on-site Coulomb…
The role of electronic Coulomb correlations in iron-based superconductors is an important open question. We provide theoretical evidence for strong correlation effects in the FeSe compound, based on dynamical mean field calculations. A…
We report on orbital-dependent quasiparticle dynamics in EuFe$_2$As$_2$, a parent compound of Fe-based superconductors and a novel way to experimentally identify this behavior, using time- and angle-resolved photoelectron spectroscopy…
Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital…