Related papers: First-Principles Electronic Structure of Solid Pic…
Superconductors have the potential to revolutionize technology due to their ability to have zero electrical resistance. However, superconductor materials require either low temperatures or high pressures to function in a superconductive…
Two recent preprints in the physics archive (arXiv) have called attention as they claim experimental evidence that a Cu-substituted apatite material (dubbed LK-99) exhibits superconductivity at room temperature and pressure. If this proves…
The most recent discovery, the Cu-doped lead apatite LK-99, is a proposed room-temperature superconductor operating under ambient pressure. However, this discovery has brought a slew of conflicting results from different scientific groups.…
The palladium-iron-arsenides Ca10(Fe1-xPdxAs)10(Pd3As8) were synthesized by solid state methods and characterized by X-ray powder and single crystal diffraction. The triclinic crystal structure (space group P-1) is isotypic to the homologue…
We report the first pyrochlore oxide superconductor Cd2Re2O7. Resistivity,magnetic susceptibility,and specific heat measurements on single crystals evidence a bulk superconductivity at 1 K. Another phase transition found at 200 K suggests…
We report the synthesis and crystal structures of three new superconducting iron-platinum arsenides (CaFe1-xPtxAs)10Pt4-yAs8 (x = 0-0.15, y = 0-0.4). The structures are stacking variants of FeAs- and slightly puckered Pt4-yAs8-layers with…
We have carried out a first principles study of the elastic properties and electronic structure for two room-temperature stable Pt silicide phases, tetragonal alpha-Pt_2Si and orthorhombic PtSi. We have calculated all of the equilibrium…
The discovery of unconventional superconductivity in the heavy-fermion material UTe$_2$ has reinvigorated research of spin-triplet superconductivity. We perform a theoretical study of coupled two-component spin-triplet superconducting order…
The superconducting transition temperature, $T_{\rm{c}}$, of FeSe can be significantly enhanced several-fold by applying pressure, electron doping, intercalating spacing layer, and reducing dimensionality. Various ordered electronic phases,…
The occurrence of high temperature superconductivity, and the competition with magnetism, in stoichiometric and doped LaOFeAs and isostructural iron-oxypnictides is raising many fundamental questions about the electronic structure and…
A theoretical analysis is presented on possible effects of disorder by dopants in high-temperature superconducting cuprate perovskites, to define their basic spectra of spin and electronic excitations, and the subsequent observable…
The interplay of superconductivity with electronic and structural instabilities on the kagome lattice provides a fertile ground for the emergence of unusual phenomena. The vanadium-based kagome metals $A$V$_3$Sb$_5$ ($A=$ K, Rb, Cs) exhibit…
FeSe is a fascinating superconducting material at the frontier of research in condensed matter physics. Here we provide an overview on the current understanding of the electronic structure of FeSe, focusing in particular on its low energy…
A recent paper [Lee {\em et al.}, J. Korean Cryt. Growth Cryst. Techn. {\bf 33}, 61 (2023)] provides some experimental indications that Pb$_{10-x}$Cu$_x$(PO$_4$)$_6$O with $x\approx 1$, coined LK-99, might be a room-temperature…
To explore underlying mechanism for the superconducting phase in recent discovered aromatic hydrocarbons, we carry out the first-principles calculations on benzene, the basic and the simplest unit of the series and examine the structural…
Electronic structures of three superconducting rare-earth iron silicides (Lu;Y;Sc)2Fe3Si5 and non-superconducting Lu2Ru3Si5, adopting a tetragonal crystal structure (P4/mnc), have been calculated employing the full-potential local-orbital…
Using a combination of first-principles simulations, based on the density functional theory and Boltzmann's semiclassical theory, we have calculated the transport and thermoelectric properties of the half-metallic two dimensional electron…
The discovery of superconductivity at 200 K in the hydrogen sulfide system at large pressures [1] was a clear demonstration that hydrogen-rich materials can be high-temperature superconductors. The recent synthesis of LaH$_{10}$ with a…
Electronic structures of undoped and doped cyclic polythiophene (PT) are studied using modified $\sigma$-bond compressibility model. Cyclic PT doped with odd number of bipolarons creates an aromatic polyene backbone containing (4$n$+2)…
Phosphorene, a 2D allotrope of phosphorus, is technologically very appealing because of its semiconducting properties and narrow band gap. Further reduction of the phosphorene dimensionality may spawn exotic properties of its electronic…