Related papers: Ni$_2$X$_2$ (X=pnictide, chalcogenide, or B) Based…
A density functional theory study of the BiS$_{2}$ superconductors containing rare-earths: \textit{Ln}O$_{1-x}$F$_{x}$BiS$_{2}$ (\textit{Ln} = La, Ce, Pr, and Nd) is presented. We find that CeO$_{0.5}$F$_{0.5}$BiS$_{2}$ has competing…
With recent discoveries of superconductivity in infinite--layer nickelates, and in La$_{3}$Ni$_{2}$O$_{7}$ under high pressure, new opportunities appeared that yet another family of high--temperature superconductors based on Ni element may…
We explore the structural, electronic, bonding, mechanical, thermodynamic and superconducting properties of two newly discovered isostructural bulk superconductors barium iridium phosphide BaIr2P2 (Tc ~ 2.1 K) and barium iridium arsenide…
We have studied the electronic structure of Ba(Fe$_{1-x}$Mn$_{x}$)$_{2}$As$_{2}$ ($x$=0.08), which fails to become a superconductor in spite of the formal hole doping like Ba$_{1-x}$K$_{x}$Fe$_{2}$As$_{2}$, by photoemission spectroscopy and…
One of the unifying concepts in the iron-pnictide superconductors, both for the mechanism of magnetic ordering and of unconventional order parameter character, has been the electron and hole Fermi surfaces that are approximately nested.…
The electronic structure of Ba$_2$Ti$_2$Fe$_2$As$_4$O, a newly discovered superconductor, is investigated using first-principles calculations based on local density approximations. Multiple Fermi surface sheets originating from Ti-3$d$ and…
Superconductivity in a novel class of layered materials, Ti-based pnictide oxides, was recently discovered. These compounds have attracted interest since they combine features of copper oxide and iron pnictide superconductors. Here the…
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…
Recently, new layered superconductors having a BiS2-type conduction layer have been discovered. NdO1-xFxBiS2 is a typical BiS2-based superconductor with a maximum Tc of 5.4 K. In this study, the effect of element substitution within the…
Emergent electronic phenomena in iron-based superconductors have been at the forefront of condensed matter physics for more than a decade. Much has been learned about the origin and intertwined roles of ordered phases, including nematicity,…
The iron-based superconductors that contain FeAs layers as the fundamental building block in the crystal structures have been rationalized in the past using ideas based on the Fermi Surface nesting of hole and electron pockets when in the…
The densities of the valence and conduction band electronic states of the newly discovered layered superconductors LaOFeAs, LaO$_{0.87}$F$_{0.13}$FeAs (Tc=26 K), SmO$_{0.95}$F$_{0.05}$FeAs and SmO$_{0.85}$F$_{0.15}$FeAs (Tc=43 K) are…
The FeSe-based superconductors exhibit a wide range of critical temperature Tc under a variety of material and physical conditions, but extensive studies to date have yet to produce a consensus view on the underlying mechanism. Here we…
We report the synthesis and characterization of bulk form diluted magnetic semiconductors Ba(Zn1-2xMnxCox)2As2 (0 <= x <= 0.15) with a crystal structure identical to that of 122-type Fe-based superconductors. Mn and Co co-doping into the…
We have performed ab initio LDA calculations of electronic structure of newly discovered prototype high-temperature superconductors AFe_2As_2 (A=Ba,Sr) and compared it with previously calculated electronic spectra of ReOFeAs…
By substituting Fe with the 5d-transition metal Pt in BaFe2As2, we have successfully synthesized the superconductors BaFe2-xPtxAs2. The systematic evolution of the lattice constants indicates that the Fe ions were successfully replaced by…
A newly discovered family of the Fe-based superconductors is isostructural with the so-called 122 family of Fe pnictides, but has a qualitatively different doping state. Early experiments indicate that superconductivity is nodeless, yet…
A series of layered (Sr$_{1-x}$K$_x$)Fe$_2$As$_2$ compounds with nominal x=0 to 0.40 are synthesized by solid state reaction method. Similar to other parent compounds of iron-based pnictide superconductors, the pure SrFe$_2$As$_2$ shows a…
RbFe2As2 has recently been reported to be a bulk superconductor with Tc = 2.6 K in the undoped state, in contrast to undoped BaFe2As2 with a magnetic ground state. We present here the results of the first-principles calculations of the…
We use inelastic neutron scattering to study magnetic excitations of the FeAs-based superconductor BaFe$_{1.9}$Ni$_{0.1}$As$_2$ above and below its superconducting transition temperature $T_c=20$ K. In addition to gradually open a spin gap…