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Novel topological state of matter is one of the rapidly growing fields in condensed matter physics research in recent times. While these materials are fascinating from the aspect of fundamental physics of relativistic particles, their…
The topological electronic structure of crystalline materials often gives rise to intriguing surface states, such as Dirac surface states in topological insulators, Fermi arc surface states in Dirac semimetals, and topological…
Conventional theories for Mott insulators involve well-localized electronic orbitals. This picture fails in the presence of topological obstructions in Chern bands which prevent the formation of exponentially localized orbitals and are…
While recent experiments have found that at optimum doping for the highest critical temperature in HgBa$_2$CuO$_{4+y}$ (Hg1201) the oxygen interstitials (O-i) are not homogeneously distributed but form one-dimensional atomic wires, there…
Density functional theory methods are applied to investigate the properties of the new superconductor $\beta$-YbAlB$_4$ and its polymorph $\alpha$-YbAlB$_4$. We utilize the generalized gradient approximation + Hubbard U (GGA+U) approach…
The $t_{2g}$ orbitals of an edge-shared transition-metal oxide with a honeycomb lattice structure form dispersionless electronic bands when only hopping mediated by the edge-sharing oxygens is accessible. This is due to the formation of…
The electronic states of isostructural single-component molecular conductors [M(tmdt)2] (M= Ni, Au, and Cu) are theoretically studied. By considering fragments of molecular orbitals as basis functions, we construct a multiorbital model…
Electron doping is an excellent tuning knob to explore different phases of matter in two-dimensional (2D) materials. For example, tuning the Fermi level at a van Hove singularity in twisted bilayer graphene can enhance electron-electron…
We demonstrate the effect of bandstructure on the superconducting properties of Pb by calculating the strong-coupling features in the optical conductivity, $\sigma(\omega)$, due to the electron-phonon interaction. The importance of momentum…
The existence of two novel hybrid two-dimensional (2D) monolayers, 2D B3C2P3 and 2D B2C4P2, has been predicted based on the density functional theory calculations. It has been shown that these materials possess structural and thermodynamic…
We obtain the general conditions for the emergence of odd-frequency superconducting pairing in a two-dimensional (2D) electronic system proximity-coupled to a superconductor, making minimal assumptions about both the 2D system and the…
Electronic correlations could have significant impact on the material properties. They are typically pronounced for localized orbitals and enhanced in low-dimensional systems, so two-dimensional (2D) transition metal compounds could be a…
A central feature of many van der Waals (vdW) materials is the ability to precisely control their charge doping, $n$, and electric displacement field, $D$, using top and bottom gates. For devices composed of only a few layers, it is…
Layered materials that exhibit magnetic ordering in their pristine form are very rare. Several standard approaches, such as adsorption of atoms, introduction of point defects, and edge engineering, have been developed to induce magnetism in…
Topological insulators host spin-polarized surface states which robustly span the band gap and hold promise for novel applications. Recent theoretical predictions have suggested that topologically protected surface states may similarly span…
We report the direct observation of interband spin-orbit (SO) coupling in a two-dimensional (2D) surface electron system, in addition to the anticipated Rashba spin splitting. Using angle-resolved photoemission experiments and…
We review a variety of theoretical and experimental results concerning electronic band structure of superconducting materials based on FeSe monolayers. Three type of systems are analyzed: intercalated FeSe systems A_xFe_2Se_{2-x}S_x and…
Proximity coupling of bilayer graphene (BLG) to transition metal dichalcogenides (TMDs) offers a promising route to engineer gate-tunable spin-orbit coupling (SOC) while preserving BLG's exceptional electronic properties. This tunability…
Two-dimensional hole gases in semiconductor quantum wells are promising platforms for spintronics and quantum computation but suffer from the lack of the $\bf{k}$-linear term in the Rashba spin-orbit coupling (SOC), which is essential for…
Using first--principles density functional calculations, we systematically investigate electronic structures and topological properties of InNbX2 (X=S, Se). In the absence of spin--orbit coupling (SOC), both compounds show nodal lines…