Related papers: Atomic structures and electronic correlation of mo…
According to topological quantum chemistry, a class of electronic materials have been called obstructed atomic insulators (OAIs), in which a portion of valence electrons necessarily have their centers located on some empty…
Electron-electron and electron-phonon interactions are two major driving forces that stabilize various charge-ordered phases of matter. The intricate interplay between the two give rises to a peculiar charge density wave (CDW) state, which…
One-dimensional electron systems (1DESs) exhibit properties that are fundamentally different from higher-dimensional systems. For example, electron-electron interactions in 1DESs have been predicted to induce Tomonaga-Luttinger liquid…
We investigate the excitonic spectrum of MoS$_2$ monolayers and calculate its optical absorption properties over a wide range of energies. Our approach takes into account the anomalous screening in two dimensions and the presence of a…
Inspired by recent discovery of correlated insulating states in twisted bilayer graphene (TBG), we study a two-orbital Hubbard model on the honeycomb lattice with two electrons per unit cell. Based on the real-space density matrix…
Two-dimensional (2D) transition metal dichalcogenides (TMDs) are prospective materials for quantum devices owing to their inherent 2D confinements. They also provide a platform to realize even lower-dimensional in-plane electron…
The moir\'e superlattice formed by ABC stacked trilayer graphene aligned with a hexagonal boron nitride substrate (TG/h-BN) provides an interesting system where both the bandwidth and the topology can be tuned by an applied perpendicular…
1T-TaS$_2$ is a prototypical charge-density-wave (CDW) system with a Mott insulating ground state. Usually, a Mott insulator is accompanied by an antiferromagnetic state. However, the antiferromagnetic order had never been observed in…
We study the electronic structure of bulk 1T-TaSe$_2$ in the charge density wave phase at low temperature. Our spatially and angle resolved photoemission (ARPES) data show insulating areas coexisting with metallic regions characterized by a…
Doped Mott insulators are the starting point for interesting physics such as high temperature superconductivity and quantum spin liquids. For multi-band Mott insulators, orbital selective ground states have been envisioned. However, orbital…
The quantum anomalous Hall state with a large band gap and a high Chern number is significant for practical applications in spintronics. By performing first-principles calculations, we investigate electronic properties of the fully…
Higher-order topological insulators have been introduced in the precursory Benalcazar-Bernevig-Hughes quadrupole model, but no electronic compound has been proposed to be a quadrupole topological insulator (QTI) yet. In this work, we…
Recently, correlated physics such as superconductivity and insulator at commensurate fractional electron fillings has been discovered in several different systems with Moire superlattice and narrow electron bands near charge neutrality.…
The intriguing properties, especially Dirac physics in graphene, have inspired the pursuit of two-dimensional materials in honeycomb structure. Here we achieved a monolayer transition metal monochalcogenide AgTe on Ag(111) by tellurization…
Electronic and thermoelectric properties of a two-dimensional MoS2 monolayer containing atomic defects are investigated using density functional theory. All the atomic defects have been found to exhibit endothermic nature. Electronic…
Geometrical confinement effect in exfoliated sheets of layered materials leads to significant evolution of energy dispersion with decreasing layer thickness. Molybdenum disulphide (MoS2) was recently found to exhibit indirect to direct gap…
Tungsten ditelluride (WTe2) has attracted significant attention due to its interesting electronic properties, such as the unsaturated magnetoresistance and superconductivity. Recently, it has been proposed to be a new type of Weyl…
Transition metal dichalcogenides (TMDs) exist in various crystal structures with semiconducting, semi-metallic, and metallic properties. The dynamic control of these phases is of immediate interest for next generation electronics such as…
We investigate properties of a topological Mott insulator in one dimension by examining the bulk topological invariant and the entanglement spectrum of a correlated electron model. We clarify how gapless edge states in a non-interacting…
Topological crystalline insulators (TCIs) are classified by topological invariants defined with respect to the crystalline symmetries of their gapped bulk. The bulk-boundary correspondence then links the topological properties of the bulk…