Related papers: Electronic structure of the ferromagnetic supercon…

We calculate electronic structures of a high-Tc iron-based superconductor Sr2VFeAsO3 by LDA+U method. We assume a checker-board antiferromagnetic order on blocking layers including vanadium and strong correlation in d-orbits of vanadium…

Monolayer NbSe$_2$ has recently been shown to be a 2-dimensional superconductor, with a competing charge-density wave (CDW) order. This work investigates the electronic structure of monolayer NbSe$_2$ based on first principles calculations,…

By means of DFT-based first-principles calculations, we examine two polymorphs of the newly synthesized 1111-like MgFeSeO as possible new superconducting systems. We have found that the polymorph with blocks [MgO], where Mg atoms are placed…

Electronic structure calculations using the augmented spherical wave method have been performed for CuRhO2. For this semiconductor crystallizing in the delafossite structure, it is found that the valence band maximum is mainly due to the 4d…

Charge order in kagome metals is of extensive current interest. Recently, a charge density wave was discovered in the magnetic binary kagome metal FeGe. In analogy to its predecessor, the non-magnetic $A$V$_3$Sb$_5$ ($A$=K, Cs, Rb), the…

The purpose of this work was to calculate the electronic band structure of Cd$_{1-x}$Fe$_x$Se. Ab-initio, calculations are performed in the Atomistix Toolkit program within the Density Functional Theory and Local Spin Density Approximation…

We analyse the magnetic structure of the antiferromagnetic order induced in Pauli limited d-wave superconductors by Zeeman coupling to magnetic field. We determine the phase diagram in the H-T plane, and find that the magnetic phase, which…

The interplay between strong electronic correlations, unconventional superconductivity, and symmetry-protected topology provides a fertile ground for discovering exotic quantum states. In this work, we investigate the correlated electronic…

We report density functional calculations of electronic structure and magnetic properties of ternary iron chalcogenide TlFe$_{2}$Se$_{2}$, which occurs in the ThCr$_{2}$Si$_{2}$ structure and discuss the results in relation to the…

By using a relativistic linear augmented-plane-wave method, we clarify energy band structures and Fermi surfaces of recently discovered plutonium-based superconductor PuCoGa$_5$. We find several cylindrical sheets of Fermi surfaces with…

Here we report the electronic structure of FeS, a recently identified iron-based superconductor. Our high-resolution angle-resolved photoemission spectroscopy studies show two hole-like ($\alpha$ and $\beta$) and two electron-like ($\eta$…

Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…

We report thermal expansion measurements on a single crystal of the superconducting ferromagnet UCoGe for magnetic fields applied along the main orthorhombic axes. The thermal expansion cell was mounted on a piezo-electric rotator in order…

Electronic structures of orthorhombic ternary nickel silicides: superconducting Lu2Ni3Si5 and its non-superconducting counterpart, Y2Ni3Si5, have been calculated employing the fully-relativistic and full-potential local-orbital method…

Kagome materials often host exotic quantum phases, including spin liquids, Chern gap, charge order, and superconductivity. Existing scanning microscopy studies of the kagome charge order have been limited to non-kagome surface layers. Here…

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,…

We report a comprehensive electronic structure investigation of the paramagnetic (PM), the large moment antiferromagnetic (LMAF), and the hidden order (HO) phases of URu$_2$Si$_2$. We have performed relativistic full-potential calculations…

First principles calculations were performed to study the ground state electronic properties of BaFeO3 (BFO) within the density functional theory (DFT). Adopting generalized gradient approximation (GGA) exchange and correlation functional…

The electronic structure of $\sigma$-phase Fe$_{100-x}$V$_x$ compounds with 33.3 $\le x \le 60.0$ was calculated from the charge self-consistent Korringa-Kohn-Rostoker method. For the first time, charge densities $\rho_A(0)$ and electric…

In this review article we present a survey of unconventional superconductors and their coexistence behaviour with magnetism. We focus on Ce- and U-based heavy fermion superconductors, in addition we discuss the rare earth borocarbide and…