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Spontaneously broken symmetry in the ground state of Bi-based topological materials can lead to promising Topological superconductors, such as Cu-Bi2Se3, Sr-Bi2Se3 and Nb-Bi2Se3. In recent studies, coexistence of multiple Fermi surface…
We report calculations of the electronic structure and magnetic properties of YFe$_2$Ge$_2$ and discuss the results in terms of the observed superconductivity near magnetism. We find that YFe$_2$Ge$_2$ is a material near a magnetic quantum…
Motivated by recent studies on ferroelectric-like order coexisting with metallicity, we investigate ferroelectric (FE) superconductivity in which a FE-like structural phase transition occurs in the superconducting state. We consider a…
Recently, the signs of both superconducting transition temperature (Tc) beyond 60 K and spin density wave (SDW) have been observed in FeSe thin film on SrTiO3 (STO) substrate, which suggests a strong interplay between superconductivity and…
We report density functional calculations of the electronic structure, Fermi surface, phonon spectrum and electron--phonon coupling for newly discovered superconductor LaO$_{0.5}$F$_{0.5}$BiSe$_{2}$. Significant similarity between…
The nature of spin-density wave and its relation with superconductivity are crucial issues in the newly discovered Fe-based high temperature superconductors. Particularly it is unclear whether the superconducting phase and spin density wave…
Obtaining the electronic structure of the newly discovered iron-based superconductors is the key to understanding the mechanism of their high-temperature superconductivity. We used angle-resolved photoemission spectroscopy (ARPES) to make…
I present the results of first principles calculations of the electronic structure and magnetic interactions for the recently discovered superconductor YFe$_2$Ge$_2$ and use them to identify the nature of superconductivity and quantum…
In this paper, we present pressure dependent structural parameters and electronic structure of ThFeAsN superconductor. There are no anomalies in the structural parameters as well as elastic constants with hydrostatic pressure which is…
A series of layered CeO$_{1-x}$F$_x$FeAs compounds with x=0 to 0.20 are synthesized by solid state reaction method. Similar to the LaOFeAs, the pure CeOFeAs shows a strong resistivity anomaly near 145 K, which was ascribed to the…
The lack of nesting of the electron and hole Fermi-surface sheets in the Fe-based superconductor LiFeAs, with a critical temperature of 18 K, has led to questions as to whether the origin of superconductivity in this material might be…
The effect of doping on electronic and other related properties of PbO-type FeSe1-xTex has been investigated theoretically using density functional method. The elastic properties for mono- and poly-crystalline FeSe1-xTex system are…
We present detailed electronic structure calculations for CaFe2As2. We investigate in particular the `collapsed' tetragonal and orthorhombic regions of the temperature-pressure phase diagram and find properties that distinguish CaFe2As2…
One of the most popular scenarios for the superconductivity in Fe-based superconductors (FeBSC) posits that the bosons responsible for electronic pairing are spin-fluctuations with a wave vector spanning the hole Fermi surfaces (FSs) near…
The electronic structures of FeAs-compounds strongly depend on the Fe-As bonding, which can not be described successfully by the local density approximation (LDA). Treating the multi-orbital fluctuations from $ab$-$initio$ by LDA+Gutzwiller…
We analyze antiferromagnetism and superconductivity in novel $Fe-$based superconductors within the itinerant model of small electron and hole pockets near $(0,0)$ and $(\pi,\pi)$. We argue that the effective interactions in both channels…
Kamihara and coworkers' report of superconductivity at Tc = 26 K in fluorine-doped LaFeAsO inspired a worldwide effort to understand the nature of the superconductivity in this new class of compounds. These iron pnictide and chalcogenide…
In this review, we present a summary of experimental studies of magnetism in Fe-based superconductors. The doping dependent phase diagram shows strong similarities to the generic phase diagram of the cuprates. Parent compounds exhibit…
The structural and electronic properties of FeSe ultra-thin layers on Bi$_{2}$Se$_{3}$ have been investigated with a combination of scanning tunneling microscopy and spectroscopy and angle-resolved photoemission spectroscopy. The FeSe…
Very recently, the new 6K superconductor (SC) LiFeP, the first arsenic-free analogue of the family of the so-called "111" FeAs SCs, was discovered. Here, based on first-principle FLAPW-GGA calculations, the band structure, density of…