Related papers: Ab Initio Study of the Structural Phase Transition…
The prototypical antiferroelectric PbZrO$_3$ has several unsettled questions, such as the nature of the antiferroelectric transition, possible intermediate phase and the microscopic origin of the Pbam ground state. Using first principles,…
One of the key issues in the physics of topological insulators is whether the topologically non-trivial properties survive at finite temperatures and, if so, whether they disappear only at the temperature of topological gap closing. Here,…
Candidates compounds for new thermoelectric and superconducting materials, which have narrow band gap and flat bands near band edges, were exhaustively searched by the high-throughput first-principles calculation from an inorganic materials…
The structural, electronic, mechanical and thermal properties of Ir$_{1-x}$Rh$_{x}$ alloys were studied systematically using ab initio density functional theory at different concentrations (x = 0.00, 0.25, 0.50, 0.75, 1.00). A Special…
We explore both experimental and theoretical aspects of the superconducting properties in the distinctive layered caged compound, Ba$_{3}$Ir$_{4}$Ge$_{16}$. Our approach integrates muon spin rotation and relaxation ($\mu$SR) measurements…
Many complex electronic systems exhibit so-called pseudogaps, which are poorly-understood suppression of low-energy spectral intensity in the absence of an obvious gap-inducing symmetry. Here we investigate the superconductor…
(TaSe$_4$)$_3$I, a compound belonging to the family of quasi-one-dimensional transition-metal tetrachalcogenides, has drawn significant attention due to a recent report on possible coexistence of two antagonistic phenomena,…
We study the finite temperature properties of the extended Bose-Hubbard model on a cubic lattice. This model exhibits the so-called supersolid state. To start with, we investigate ordering processes by quantum Monte Carlo simulations, and…
We have prepared the new amorphous superconductor $\rm Mo_xC_yGa_zO_{\delta}$ with a maximum critical temperature $T_c$ of 3.8\,K by the direct-write nano-patterning technique of focused (gallium) ion beam induced deposition (FIBID) using…
We calculate superconducting transition temperatures ($T_{\rm c}$) in sulfur hydrides H$_{2}$S and H$_{3}$S from first principles using the density functional theory for superconductors. At pressures of $\lesssim$150 GPa, the high values of…
Using a mean-field BCS-like approach on the bidimensional extended Hubbard Hamiltonian we calculate the superconducting transition temperature Tc as a function of the hole content nh, for the d-wave and extended-s wave gap symmetries. To…
We analyze the Thermodynamic Bethe Ansatz equations of the one-dimensional half-filled Hubbard model in the "spin-disordered regime", which is characterized by the temperature being much larger than the magnetic energy scale but small…
Finite-temperature charge-ordering phase transition in quasi one-dimensional (1D) molecular conductors is investigated theoretically, based on a quasi 1D extended Hubbard model at quarter filling with interchain Coulomb repulsion $V_\perp$.…
Members of the CaK(Fe$_{1-x}$Mn$_{x}$)$_{4}$As$_{4}$ series have been synthesized in single crystalline form and characterized by elemental analysis, thermodynamic and transport measurements. These measurements show that the superconducting…
The empirical relation of T_co(K)=2740/<q>_c^4 between the transition temperature of optimum doped superconductors T_co and the mean cationic charge <q>_c, a physical paradox, can be recast to strongly support fractal theories of high-T_c…
The structural features and physical properties of the antiferromagnetic K0.8Fe1.6Se2 (so called K2Fe4Se5 phase) have been studied in the temperature range from 300K up to 600K. Resistivity measurements on both single crystal and…
Recently, the superconductors' community has witnessed an unsettled debate regarding whether iron-based superconductors, in particular FeSe and FeSe$_{1-x}$S$_x$, are in the Bardeen-Cooper-Shrieffer (BCS) - Bose-Einstein condensation (BEC)…
We probe the transition between superfluid and Bose glass phases using quantum quenches of disorder in an ultracold atomic lattice gas that realizes the disordered Bose-Hubbard model. Measurements of excitations generated by the quench…
We present an infrared spectroscopy study of ZrTe$_5$, which confirms a recent theoretical proposal that this material exhibits a temperature-driven topological quantum phase transition from a weak to a strong topological insulating state…
We report a study of the superconducting and normal-state properties of the filled-skutterudite system PrPt$_{4}$Ge$_{12-x}$Sb$_x$. Polycrystalline samples with Sb concentrations up to $x =$ 5 were synthesized and investigated by means of…