Related papers: Tunable phase transitions in half-Heusler TbPtBi c…
A unique co-existence of extremely large magnetoresistance (XMR) and topological characteristics in non-magnetic rare-earth monopnictides stimulating intensive research on these materials. Yttrium monobismuthide (YBi) has been reported to…
By means of first-principles density-functional theory (DFT) calculations, we perform a comparative analysis of the electronic and magnetic properties of transition metal-doped TiO$_2$. The electronic band gaps of Ti$_x$M$_{1-x}$O$_2$,…
Half-Heusler compounds are known for their various compositions and multifunctional properties including topological phases. In this study, we investigate the topological classification of this class of materials based on the ordering of…
We study the ground-state properties of dipolar spin-1/2 Bose-Einstein condensates with quantum fluctuations and Rashba spin-orbit coupling (SOC). The combined effects of dipole-dipole interaction (DDI), SOC, and Lee-Huang-Yang (LHY)…
The electronic structures and thermoelectric properties of semiconducting transition-metal dichalcogenide monolayers $\mathrm{MX_2}$ (M=Zr, Hf, Mo, W and Pt; X=S, Se and Te) are investigated by combining first-principles and Boltzmann…
Twisted bilayer structures have emerged as a fascinating arena in condensed matter thanks to their highly tunable physics. The role of spin-orbit coupling (SOC) in twisted bilayers has gained increasing attention due to its potential for…
We explore superconductivity in strongly interacting electrons on a decorated honeycomb lattice (DHL). An easy-plane ferromagnetic interaction arises from spin-orbit coupling in the Mott insulating phase, which favors a triplet resonance…
The rapid variation of the superconductivity Tc in hydride sulfur (H3S) under high pressure [A. Drozdov et al, Nature 525, 73 (2015); M. Einaga et al, arXiv: 1509.03156] in a vicinity Pcr=123GPa is interpreted in terms of the 1st order…
Exponentially localized surface states are the most distinctive property of a crystal with non-trivial band topology. Such surface states play a key role in characterizing topological insulators (TIs), both in theory and experiments. TIs…
In superconductor-semiconductor hybrids, applying a magnetic field closes a trivial bulk gap and causes a topological phase transition (TPT), resulting in the emergence of Majorana zero modes at both ends of the wires. However, trivial…
Extensive investigations on topological phase transition (TPT) in three-dimensional compounds have been done. whereas, rare in two-dimensional systems, let alone noncentrosymmetric materials. In this work, based on first-principles…
Systematic benchmark calculations for elemental bulks are presented to validate the accuracy of density functional theory for superconductors. We developed a method to treat the spin-orbit interaction (SOI) together with the spin…
We found that magnetic ground state of one-dimensional atomic chains of carbon-transition metal compounds exhibit half-metallic properties. They are semiconductors for one spin-direction, but show metallic properties for the opposite…
A generalized version of the fidelity susceptibility of single-band and multi-orbital Hubbard models is systematically studied using single-site dynamical mean-field theory in combination with a hybridization expansion continuous-time…
Experiments on twisted double bilayer tungsten diselenide have demonstrated that moir'e semiconductors can realize a relativistic Mott transition, i.e., a quantum phase transition from a Dirac semimetal to a correlated insulating state, by…
A pressure-induced topological quantum phase transition has been theoretically predicted for the semiconductor BiTeI with giant Rashba spin splitting. In this work, the evolution of the electrical transport properties in BiTeI and BiTeBr is…
The realization of spin-orbit coupling (SOC) in ultracold atoms has triggered an intensive exploring of topological superfluids in the degenerate Fermi gases based on mean-field theory, which has not yet been reported in experiments. Here,…
The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface…
By first-principles calculation based on the density functional theory (DFT) with the modified Becke-Johnson local density approximation plus Hubbard U (MBJLDA+U), we studied the band structures of the Yb chalcogenides YbO and YbS under…
Based on the analysis of a two-orbital Hubbard model within a mean-field approach, we propose a mechanism for an orbital selective phase transition (OSPT) where coexistence of localized and itinerant electrons can be realized. We show that…