Related papers: Density functional study of BaNi$_2$As$_2$: Electr…
We performed a detailed study of the intrinsic electronic structure of YRu2Si2 employing angleresolved photoemission spectroscopy (ARPES) and density-functional theory (DFT) based firstprinciples calculations. Electrical and magnetic…
We have performed the first-principles electronic structure calculation for the novel superconductor Ca4Al2O6Fe2As2 which has the smallest a lattice parameter and the largest As height from the Fe plane among the Fe-As superconductors. We…
We measured the Fermi surface (FS), band dispersion and superconducting gap in LuNi2B2C using Angle Resolved Photoemission Spectroscopy. Experimental data were compared with the tight-binding version of the Linear Muffin-Tin Orbital (LMTO)…
The generic band structure of high-T$_C$ copper oxides is simulated by the nearly free-electron model (NFE) in two dimensions (2-D) with parameters from band calculations. Interaction between phonons and spin waves will cause potential…
Using \emph{ab initio} band structure and DFT+dynamical mean-field theory methods we examine the effects of electron-electron interactions on the normal state electronic structure, Fermi surface, and magnetic correlations of the recently…
We study the properties of ThCr$_2$Si$_2$ structure BaMn$_2$As$_2$ and BaMn$_2$Sb$_2$ using density functional calculations of the electronic and magnetic as well experimental measurements on single crystal samples of BaMn$_2$As$_2$. These…
The low energy band structure and Fermi surface of the newly discovered superconductor, AxFe2Se2 (A=K,Cs), have been studied by angle-resolved photoemission spectroscopy. Compared with iron pnictide superconductors, AxFe2Se2 (A=K,Cs) is the…
We present a first principles investigation of the lattice dynamics and electron-phonon coupling of the superconductor MgB_2 and the isostructural AlB_2 within the framework of density functional perturbation theory using a mixed-basis…
Electronic structures of a superconductor without inversion symmetry, LaPdSi3, and its non-superconducting counterpart, LaPdGe3, have been calculated employing the full-potential local-orbital method within the density functional theory.…
Using scanning tunneling microscopy and spectroscopy, for a monolayer of transition metal dichalcogenide H-NbS$_2$ grown by molecular beam epitaxy on graphene, we provide unambiguous evidence for a charge density wave (CDW) with a…
We investigate the electronic structures of iron-based superconductors having perovskite-like blocking layers, %Ca$_4$Al$_2$O$_6$Fe$_2$(As$_{1-x}$P$_x$)$_2$ from first principles. Ca$_4$Al$_2$O$_6$Fe$_2$P$_2$ and…
Employing {\it state of the art} high resolution photoemission spectroscopy, we studied the temperature evolution of the electronic structure of EuFe$_2$As$_2$, an unique pnictide, where antiferromagnetism of Eu layer survives within the…
We report a detailed first-principles study of the structural, electronic and vibrational properties of the superconducting C$_{32}$ phase of the ternary alloy CaAl$_{2-x}$Si$_x$, both in the experimental range $0.6 \leq x \leq 1.2$, for…
Recently, a first-order phase transition associated with charge density wave (CDW) has been observed at low temperatures in intermetallic compound BaFe$_2$Al$_9$. However, this transition is absent in its isostructural sister compound…
The properties of the d-wave superconducting state in the two-dimensional system have been studied. It has been assumed, that the pairing mechanism is based on the electron-phonon and the electron-electron-phonon interactions. The obtained…
We investigate the electronic state and structure transition of BaNi2As2, which shows a similar superconducting phase diagram as Fe-based superconductors. We construct the ten-orbital tight-binding model for BaNi2As2 by using the maximally…
The three-dimensional band structure and superconducting gap of Ba0.6K0.4Fe2As2 are studied with high-resolution angle-resolved photoemission spectroscopy. In contrast to previous results, we have identified three hole-like Fermi surfaces…
Very recently a new family of layered materials, containing BiS2 planes was discovered to be superconducting at temperatures up to Tc=10 K, raising questions about the mechanism of superconductivity in these systems. Here, we present…
A recent experimental study announced the emergence of superconductivity in La$_3$Ni$_2$O$_7$ under pressure, with the highest observed superconducting transition temperature ($T_c$) reaching approximately 80 K beyond 14 GPa. While…
The electronic structure of Na2Ti2Sb2O, a parent compound of the newly discovered titanium-based oxypnictide superconductors, is studied by photon energy and polarization dependent angle-resolved photoemission spectroscopy (ARPES). The…