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We investigate the superconducting ternary lithium borohydride phase diagram at pressures of 0 and 200$\,$GPa using methods for evolutionary crystal structure prediction and linear-response calculations for the electron-phonon coupling. Our…
We advert to the fact that presence of valence fluctuations (VFs) in semiconductors with in-gap impurity bands unconditionally leads to dynamical changes (fluctuations) of energies of localized impurity states. We provide arguments that in…
In the flurry of experiments looking for topological insulator materials, it has been recently discovered that some bulk metals very close to topological insulator electronic states, support the same topological surface states that are the…
A key challenge in condensed matter research is the optimization of topological insulator (TI) compounds for the study and future application of their unique surface states. Truly insulating bulk states would allow the exploitation of…
Although the generic mechanism behind high-temperature superconductivity remains notoriously elusive, a set of favorable conditions for its occurrence in a given material has emerged: (i) the electronic structure should have a very high…
Electronic band structure of boron-rich low-temperature superconductors UB12-like dodecaboride YB12 and CaB6-like hexaboride YB6 are investigated using the first-principle FLMTO calculations and compared with one for layered YB2 and the new…
The possible existence of topological insulators in cubic pyrochlore iridates A$_{2}$Ir$_{2}$O$_{7}$ (A = Y or rare-earth elements) is investigated by taking into account the strong spin-orbit coupling and trigonal crystal field effect. It…
SmB6 is a mixed valence Kondo insulator that exhibits a sharp increase in resistance following an activated behavior that levels off and saturates below 4K. This behavior can be explained by the proposal of SmB6 representing a new state of…
A material which is an insulator entirely because of interaction effects is called a correlated insulator. Examples are trans-polyacetylene and the cuprate high temperature superconductors. Whereas doping of a band insulator results in a…
The true topological nature of the Kondo insulator SmB$_6$ remains to be unveiled. Our previous tunneling study not only found evidence for the existence of surface Dirac fermions, but it also uncovered that they inherently interact with…
Some of the most remarkable phenomena---and greatest theoretical challenges---in condensed matter physics arise when $d$ or $f$ electrons are neither fully localized around their host nuclei, nor fully itinerant. This localized/itinerant…
Quantum spin Hall (QSH) insulators, a new class of quantum matters, can support topologically protected helical edge modes inside bulk insulating gap, which can lead to dissipationless transport. A major obstacle to reach wide application…
We report synthesis, characterization, and physical properties of layered bismuth-sulfide compounds La2O2Bi3-xPb1+xS6. We synthesized a new La2O2Bi3PbS6 compound, whose crystal structure is similar to those of the La2O2Bi3AgS6…
Based on density functional theory, we have systematically studied the structural stability, mechanical properties and chemical bonding of the transition metal borides M3B4 (M=Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) for the first time. All…
We discuss the relation between bulk topological invariants and the spectrum of surface states in three dimensional non-interacting topological insulators. By studying particular models, and considering general boundary conditions for the…
The compound SmB$_6$ is the best established realization of a topological Kondo insulator, in which a topological insulator state is obtained through Kondo coherence. Recent studies have found evidence that the surface of SmB$_6$ hosts…
Strong spin-orbit coupling fosters exotic electronic states such as topological insulators and superconductors, but the combination of strong spin-orbit and strong electron-electron interactions is just beginning to be understood. Central…
Electron beam induced deposition with tungsten hexacarbonyl W(CO)6 as precursors leads to granular deposits with varying compositions of tungsten, carbon and oxygen. Depending on the deposition conditions, the deposits are insulating or…
Thin (6-7 quintuple layer) topological insulator Bi2Se3 quantum dot devices are demonstrated using ultrathin (2~4 quintuple layer) Bi2Se3 regions to realize semiconducting barriers which may be tuned from Ohmic to tunneling conduction via…
We have measured thermoelectric properties of Ta2PdX6 (X=S, Se) around room temperature using single crystal samples. We find that the power factor of Ta2PdX6 is relatively high from middle-low to room temperatures, and notably Ta2PdSe6…