Related papers: Electronic Structure of Fe-Based Superconductors
Superconductivity in FeSe has recently attracted a great deal of attention because it emerges out of an electronic nematic state of elusive character. Here we study both the electronic normal state and the superconducting gap structure…
Using the "break-junction" technique we prepared and studied superconductor - constriction - superconductor nanocontacts in polycrystalline samples of Fe-based superconductors CeO$_{0.88}$F$_{0.12}$FeAs (Ce-1111; $T_C^{\rm bulk} = 41 \pm 1…
Electron-doped TiNCl is a superconductor, for which exotic mechanisms of the superconductivity have been discussed. However, difficulty in preparing large single-phase samples has prevented the direct observation of its electronic structure…
We performed a combined angle-resolved photoemission spectroscopy and scanning tunneling microscopy study of the electronic structure of electron-doped Ca$_{0.83}$La$_{0.17}$Fe$_2$As$_2$. A surface reconstruction associated with the…
The recent discovery of superconductivity in hole-doped planar nickelates R1-xSrNiO2 (R=Pr,Nd) raises the foundational question of how the electronic structure and electronic correlations of these Ni1+ compounds compare to those of the Cu2+…
The superconductor UCoGe is analyzed with electronic structure calculations using Linearized Augmented Plane Wave method based on Density Functional Theory. Ferromagnetic and antiferromagnetic calculations with and without correlations (via…
High transition temperature superconductors in cuprates exhibit the charge-density-wave fluctuations and the ferromagnetic time-reversal-symmetry-breaking fluctuation in the polar Kerr rotation experiments. We demonstrate that they share…
Density functional theory and molecular dynamics simulations have been used to optimize the structure of nanowires of SiO2. The starting structures were based on b-cristobalite, orthotridymite, b-tridymite, and rutile crystals. The analysis…
Covellite (CuS) is the first known natural mineral superconductor. Despite its simple chemical formula, covellite exhibits a rich crystal structure at the origin of several remarkable properties. The ionic arrangement in CuS crystals leads…
We investigate the electronic structure of the c(4 x 2) reconstructed Ge(001) surface using band structure calculations based on density functional theory and the generalized gradient approximation. In particular, we take into account the…
In this review article, we show our recent results relating to the undoped (Ce-free) superconductivity in the electron-doped high-Tc cuprates with the so-called T' structure. For an introduction, we briefly mention the characteristics of…
BaNi2As2 is a superconductor chemically related to the Fe-based superconductors, with a complex and poorly understood structural phase transition. We show based on first principles calculations that in fact there are two distinct competing…
Electronic phase behavior in correlated-electron systems is a fundamental problem of condensed matter physics. We argue here that the change in the phase behavior near the surface and interface, i.e., {\em electronic reconstruction}, is the…
We report first principles calculations of the electronic structure, phonon dispersions and electron phonon coupling of LaNiPO. These calculations show that this material can be explained as a conventional electron phonon superconductor in…
This article surveys the physics of systems proximate to Mott insulators, and presents a classification using conventional and topological order parameters. This classification offers a valuable perspective on a variety of conducting…
Finding of unconventional superconductivity (USC) in FeSe in an electronic "normal" state with broken $C_{4v}$ rotational symmetry testifies to the diversity of pairing states in Fe-based superconductors. Moreover, such USC emerges as a…
Recent experiments on certain Fe-based superconductors have hinted at a role for paired electrons in "incipient" bands that are close to, but do not cross the Fermi level. Related theoretical works disagree on whether or not strong-coupling…
We study the magnetic, structural, and electronic properties of the recently discovered iron- based superconductor BaFe2S3 based on density functional theory with the generalized gradient approximation. The calculations show that the…
Locally noncentrosymmetric CeRh$_{2}$As$_{2}$ exhibits characteristic two-phase unconventional $H$--$T$ superconducting phase diagram. The transition from even- to odd-parity superconducting phase is supported by the P4/nmm crystal…
Structural phase separation in A$_x$Fe$_{2-y}$Se$_2$ system has been studied by different experimental techniques, however, it should be important to know how the electronic uniformity is influenced, on which length scale the electronic…