Related papers: Modeling Intercalated Group-4-Metal Nitride Halide…
We report first principles calculations, within density functional theory, of copper intercalated titanium diselenides, CuxTiSe2, for values of x ranging from 0 to 0.11. The effect of intercalation on the energy bands and densities of…
Layered transition metal dichalcogenides (TMDs) stabilize in multiple structural forms with profoundly distinct and exotic electronic phases. Interfacing different layer types is a promising route to manipulate TMDs' properties, not only as…
We perform a thorough first-principles study on superconductivity in yttrium carbide halide Y$_2$$X_2$C$_2$ ($X$=Cl, Br, I) whose maximum transition temperature ($T_{\rm c}$) amounts to $\sim$10 K. A detailed analysis on the optimized…
We use first-principles calculations to extract two essential microscopic parameters, the charge-transfer energy and the inter-cell oxygen-oxygen hopping, which correlate with the maximum superconducting transition temperature $\Tcmax$…
Exciton binding energies of hundreds of meV and strong light absorption in the optical frequency range make transition metal dichalcogenides (TMDs) promising for novel optoelectronic nanodevices. In particular, atomically thin TMDs can be…
We study possible superconducting states in transition metal dichalcogenide (TMD) monolayers, assuming an on-site pairing potential that includes both intra- and inter-orbital terms. We find that if the mirror symmetry with respect to the…
Diffusion mediated interaction in metal-substrate assembly during high temperature annealing leads to possible formation of new composite materials. Here, sputtered grown Ti films on Si3N4/Si substrate has been reported to produce titanium…
We report the superconductivity in the layered Zintl phase LiSn$_2$As$_2$, which is isostructural to NaSn$_2$As$_2$ and has a transition temperature ($T_{\mathrm{c}}$) of 1.6 K. Despite similar $T_{\mathrm{c}}$ and Debye temperatures,…
The superconducting state of the heavy-fermion metal UTe$_2$ has attracted considerable interest because of evidence for spin-triplet Cooper pairing and non-trivial topology. Progress on these questions requires identifying the presence or…
The transition metal dichalcogenide 6R-TaS$_{2}$ offers a natural platform for studying the interplay among charge density wave (CDW) order, superconductivity, and transport anomalies. Recent findings reveal that, in the intermediate…
We show from a bond valence sum correlation that very high superconducting $ T_{c} $ values should be found in optimally hole-doped infinite-layer ACuO$ _{2} $ cuprates - up to 160~K for A = Ba. The projected increase in $ T_{c} $ across…
Temperature-dependent inter-plane resistivity, $\rho _c(T)$, was used to characterise the normal state of the iron-arsenide superconductor Ba(Fe$_{1-x}$Co$_x$)$_2$As$_2$ over a broad doping range $0\leq x<0.50$. The data were compared with…
The thermal conductivity $\kappa$ of the heavy-fermion superconductor CeIrIn$_5$ was measured as a function of temperature down to $T_c$/8, for current directions perpendicular ($J \parallel a$) and parallel ($J \parallel c$) to the…
Understanding the pairing mechanism in bilayer nickelate superconductors constitutes a fascinating quest. Here we investigate the intriguing interplay between Hund's rule coupling and interorbital hybridization in a two-orbital model for…
4Hb-TaS_2, a van der Waals superlattice comprising alternate stacked Ising superconducting 1H-TaS_2 and cluster Mott insulating 1T-TaS_2, exhibits emergent properties beyond those of its constituent layers. Notable phenomena include…
Superconductivity in organic conductors is often tuned by the application of chemical or external pressure. With this type of tuning, orbital overlaps and electronic bandwidths are manipulated, whilst the properties of the molecular…
We present a percolation theory for the high-$T_c$ oxides pseudogap and $T_c$ dependence on the hole level. The doping dependent inhomogeneous charge structure is modeled by a distribution which may represent the stripe morphology and yield…
Single crystals of mixed alkaline earth metal iron arsenide materials of Ba1-xSrxFe2As2 and Ba0.5Sr0.5(Fe1-yCoy)2As2 are synthesized via the self-flux method. Ba1-xSrxFe2As2 display spin-density wave features (TN) at temperatures…
The pursuit of a unifying theory for non-BCS superconductivity has faced significant challenges. One approach to overcome such challenges is to perform systematic investigations into superconductors containing \textit{d}-electron metals in…
We investigate the pseudogap onset temperature $T^*$, the superconducting transition temperature $T_c$ and the general nature of the pseudogap phase using a diagrammatic BCS-Bose Einstein crossover theory. This decoupling scheme is based on…