Related papers: Plutonium hexaboride is a correlated topological i…
The electronic structure and thermodynamical properties of uranium trihydrides ($\alpha$-UH$_{3}$ and $\beta$-UH$_{3}$) have been studied using first-principles density functional theory. We find that inclusion of strong electronic…
The Kondo insulator SmB6 has long been known to exhibit low temperature (T < 10K) transport anomaly and has recently attracted attention as a new topological insulator candidate. By combining low-temperature and high energy-momentum…
Crystal structure searching and ab initio calculations have been used here to explore low-energy structures of boron carbides under high pressure. Under pressures of 85-110 GPa, a metastable B6C with R-3m symmetry is found to be…
Strongly correlated Fermi systems are among the most intriguing and fundamental systems in physics. We show that the herbertsmithite ZnCu3(OH)6Cl2 can be viewed as a new type of strongly correlated electrical insulator that possesses…
We analyze the impact of strong correlations on the surface states of a three-dimensional topological Kondo insulator. An important observation is that correlations are strongly increased at the surface, which leads to an energetical…
Topological excitonic insulators combine topological edge states and spontaneous exciton condensation, with dual functionality of topological insulators and excitonic insulators. Yet, they are very rare and little is known about their…
We consider a junction between surface $p$-type and surface $n$-type on an ideal topological insulator in which carrier type and density in two adjacent regions are locally controlled by composition graded doping or electrical gating. Such…
Topological insulators are new class of materials which are characterized by a bulk band gap like ordinary band insulator but have protected conducting states on their edge or surface. These states emerge out due to the combination of…
The archetypical 3D topological insulators Bi2Se3, Bi2Te3 and Sb2Te3 commonly exhibit high bulk conductivities, hindering the characterization of the surface state charge transport. The optimally doped topological insulators Bi2Te2Se and…
Topological insulators (TIs) have the singular distinction of being electronic insulators while harboring metallic, conductive surfaces. In ordinary materials, defects such as cracks and deformations are barriers to electrical conduction,…
The simultaneous presence of polarity and metallicity in a material signifies an exotic polar metal state, but such materials are extremely rare, especially in bulk form, due to mutually exclusive nature of the fundamental defining…
We study coherent spin transport through helical edge states of topological insulator tunnel-coupled to metallic leads. We demonstrate that unpolarized incoming electron beam acquires finite polarization after transmission through such a…
Uranium is considered as a very important nuclear energy material because of the huge amount of energy released. As the main products of spontaneous decay of uranium, helium is difficult to react with uranium for its chemical inertness.…
Doped divalent hexaborides such as $Sr_{1-x}La_xB_6$ exhibit high \tc ferromagnetism. We isolate a degenerate pair of $2p$-orbitals of boron with two valence electrons, invoke electron correlation and Hund coupling, to suggest that the…
We study an extended Hubbard model with the nearest-neighbor Coulomb interaction on the pyrochlore lattice at half filling. An interaction-driven insulating phase with nontrivial Z_2 invariants emerges at the Hartree-Fock mean-field level…
Nontrivial topology in type-II Dirac semimetal NiTe$_2$ leading to topologically protected surface states give rise to fascinating phenomena holding great promise for next-generation electronic and spintronic devices. Key parameters $-$…
Presence of entangled states is explicitly shown in Topological insulator (TI) $Bi_2Te_3$. The surface and bulk state are found to have the different structures of entanglement. The surface states live as maximally entangled states in the…
In the search for MgB2-like phonon-mediated superconductors we have carried out a systematic density functional theory study of the Ca-B system, isoelectronic to Mg-B, at ambient and gigapascal pressures. A remarkable variety of candidate…
The discovery of high-temperature superconductors remains a central challenge in materials science. Hydrogen-rich compounds are among the most promising candidates, as they can exhibit phonon-mediated superconductivity at elevated critical…
Inspired by recent predictions of superconductivity in B-C framework clathrates, we employ density functional theory to explore potential superconductors among hexagonal hydride-substituted compounds with compositions XB$_8$C, XB$_7$C$_2$,…