Related papers: Electronic structure properties and BCS supercondu…

Kagome materials offer a versatile platform for exploring correlated and topological quantum states, where van Hove singularities (VHSs) play a pivotal role in driving electronic instabilities, exhibiting distinct behaviors depending on…

We measured the Fermi surface of the recently discovered superconductor Ag5Pb2O6 via a de Haas-van Alphen rotation study. Two frequency branches were observed and identified with the neck and belly orbits of a very simple, nearly free…

Superconducting condensation energy $U_0^{int}$ has been determined by integrating the electronic entropy in various iron pnictide/chalcogenide superconducting systems. It is found that $U_0^{int}\propto T_c^n$ with $n$ = 3 to 4, which is…

We predict that the square lattice layer formed by [Co$_2$N$_2$]$^{2-}$ diamond-like units can host high temperature superconductivity. The layer appears in the stable ternary cobalt nitride, BaCo$_2$N$_2$. The electronic physics of the…

The properties of correlated electron materials are often intricately linked to Van Hove singularities (VHS) in the vicinity of the Fermi energy. The class of these VHS is of great importance, with higher-order ones -- with power-law…

In this present study, the pseudopotential plane-wave (PP-PW) pathway in the scheme of density functional theory (DFT) is utilized to investigate the various physical properties on (Ba0.82K0.18)(Bi0.53Pb0.47)O3 (BKBPO) single perovskite…

The prototypical delafossite metal PdCoO$_2$ has been the subject of intense interest for hosting exotic transport properties. Using first-principles transport calculations and theoretical modeling, we reveal that the high electrical…

Using a two-dimensional Hubbard Hamiltonian for the three electronic bands crossing the Fermi level in Sr$_2$RuO$_4$ we calculate the band structure and spin susceptibility $\chi({\bf q}, \omega)$ in quantitative agreement with nuclear…

Using projector augmented wave approach within the generalized gradient approximation, we have studied the structural property and electronic structure of ZrB12. The calculated lattice constants and bulk modulus are in good agreement with…

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…

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 investigate the electronic and superconducting properties in nickelate compounds of NiO2 through Perturbative Density Functional Theory (P-DFT) and multi-band BCS theory. We consider three different cases of study (i) the…

The low-energy electronic structure of the itinerant metamagnet Sr3Ru2O7 is investigated by angle resolved photoemission and density functional calculations. We find well-defined quasiparticle bands with resolution limited line widths and…

The interplay between electronic topology and superconductivity is the subject of great current interest in condensed matter physics. For example, superconductivity induced on the surface of topological insulators is predicted to be triplet…

To elucidate the nature of the superconducting ground state of the geometrically frustrated pyrochlore KOs2O6 (Tc=9.6K), the thermal conductivity was measured down to low temperatures (~Tc/100). We found that the quasiparticle mean free…

Insulators occur in more than one guise, a recent finding was a class of topological insulators, which host a conducting surface juxtaposed with an insulating bulk. Here we report the observation of an unusual insulating state with an…

The electronic structure of fluorite crystals are studied by means of density functional theory within the local density approximation for the exchange correlation energy. The ground-state electronic properties, which have been calculated…

Scanning tunneling spectroscopy (STS) and angle-resolved photoemission spectroscopy (ARPES) have been investigated on single crystal samples of KFe2As2. A van Hove singularity (vHs) has been directly observed just a few meV below the Fermi…

The electronic structure of the new superconductor, SmO$_{1-x}$F$_x$FeAs ($x=0.15$), has been studied by angle-integrated photoemission spectroscopy. Our data show a sharp feature very close to the Fermi energy, and a relative flat…

First principles investigations of the high temperature superconducting system Ba$_2$CuO$_{3+\delta}$, recently discovered at $\delta\approx0.2$ at $T_c=70$ K, are applied to demonstrate the effects of oxygen ordering on the electronic and…