Related papers: Electronic-Structure Correlations Governing Superc…
Undoped iron superconductors accommodate $n=6$ electrons in five d-orbitals. Experimental and theoretical evidence shows that the strength of correlations increases with hole-doping, as the electronic filling approaches half-filling with…
In this survey, we focus on Nb-based binary intermetallic compounds, which have been widely used over the last 40 years to develop a range of superconducting applications, including non-standard engineering solutions in the design of large…
We construct a family of translationally invariant lattice models with a large number ($N$) of orbitals at every site coupled together via single electron tunneling. By tuning the relative strength of the electronic bandwidth and on-site…
Semiconductor alloys exhibit a strong dependence of effective thermal conductivity on measurement frequency. So far this quasi-ballistic behaviour has only been interpreted phenomenologically, providing limited insight into the underlying…
Recent experimental data (H. Nam et al., Phys. Rev. B 100, 094512 (2019)) of critical temperature and gaps measured on superconductor/normal metal heterostructure Pb/Ag, epitaxially grown, shown a interesting not usual behaviour. The…
Niobium metal occupies nearly 100\% of the volume of a typical 2D transmon device. While the aluminum Josephson junction is of utmost importance, maintaining quantum coherence across the entire device means that pair-breaking in Nb leads,…
It has long been known that two-dimensional metals with antiferromagnetic exchange interactions have a weak-coupling instability to the superconductivity of spin-singlet, d-wave electron pairs. We examine additional possible instabilities…
Electronic structure of recently discovered isotypic ternary borides Li$_2$Pd$_3$B and Li$_2$Pt$_3$B, with noncentrosymmetric crystal structures, is studied with a view to understanding their superconducting properties. Estimates of the…
Surface alloying can alter surface electronic and magnetic properties, which are key parameters when developing new materials tailored for specific applications. A magnetic surface alloy was formed by depositing Sb on Ni(111) at elevated…
From electronic-structure-based thermodynamic linear-response, we establish chemical ordering behavior in complex solid solutions versus how Gibbs' space is traversed -- applying it on prototype refractory A2 Ta-Nb-Mo-W high-entropy alloys.…
Niobium is one of the most studied superconductors, both theoretically and experimentally. It is tremendously important for applications, and it has the highest superconducting transition temperature, $T_{c}=9.33$ K, of all pure metals. In…
We present a combined study of Ni $K$-edge resonant x-ray scattering and density functional calculations to probe and distinguish electronically driven ordering and lattice distortions in nickelate heterostructures. We demonstrate that due…
First-principles calculation has led to significant discoveries in materials science. Half heusler (HH) alloys, which are potential thermoelectric materials have demonstrated significant improvements in thermoelectric performance owing to…
The high-transition-temperature (high-Tc) superconductivity discovered recently in iron pnictides is analyzed within a perturbation theory. Specifically, the probable pairing symmetry, the doping dependence of the transition temperature and…
CsCr$_3$Sb$_5$ is a newly identified strongly correlated kagome superconductor, characterized by non-Fermi-liquid behavior at elevated temperatures and intertwined charge- and spin-density-wave order below $T_{DW}\approx 54$K. Under…
Disorder enhances desired properties, as well as creating new avenues for synthesizing materials. For instance, hardness and yield stress are improved by solid-solution strengthening, a result of distortions and atomic size mismatches.…
We explore multiband effects on d-wave superconducting instabilities driven by electron-electron interactions. Our models on the two-dimensional square lattice consist of a main band with an extended Fermi surface and predominant weight…
Realizing new classes of ground states in strongly correlated electron systems continues to be at the forefront of condensed matter physics. Heavy-fermion materials, whose electronic structure is essentially three-dimensional, are one of…
We consider superconductivity in a system with $N$ Fermi surfaces, including intraband and interband effective electron-electron interactions. The effective interaction is described by an $N \times N$ matrix whose elements are assumed to be…
Establishing strong electron-correlations not only shed lights on overcoming the trade-off limitations for optimizing thermoelectric materials, but can also introduce new functionalities that extend the vision of conventional thermoelectric…