Related papers: Kagom\'e in triangular lattice: electronic state o…
The electronic and magnetic properties of transition metal oxyhalide compound Co2TeO3Cl2 is investigated using first principle calculations within the framework of density functional theory. In order to find underlying spin lattice of this…
The nature of electronic states due to strong correlation and geometric frustration on the triangular lattice is investigated in connection to the unconventional insulating state of Na$_x$CoO$_2$ at $x=0.5$. We study an extended Hubbard…
We found a new cobalt oxide (CaOH)1.14CoO2 by utilizing the high-pressure technique. X-ray and electron diffraction studies revealed that the compound has layer structure which consists of CdI2-type CoO2 layers and rock-salt-type double…
Electric field effect in electronic double layer transistor (EDLT) configuration with ionic liquids as the dielectric materials is a powerful means of exploring various properties in different materials. Here we demonstrate the modulation…
We show that unconventional boundary phenomena occur in the $3Q$ charge bond orders on the hexagonal lattices. At the Van Hove singularity with three nesting momenta, $3Q$ orders can trigger a $\text{C}_6$-symmetric insulator under bond…
First principle density functional theory (DFT) calculations on the high temperature phase of layered triangular lattice system NaTiO$_2$ have revealed that there exists a collective electronic state energetically close to the ground state…
A gas of strongly interacting spinless p-orbital fermionic atoms in 2D optical lattices is proposed and studied. Several interesting new features are found. In the Mott limit on a square lattice, the gas is found to be described effectively…
Chemical bonding in 2D layered materials and van der Waals solids is central to understanding and harnessing their unique electronic, magnetic, optical, thermal and superconducting properties. Here we report the discovery of spontaneous,…
Condensed matter systems with strong electronic correlations often manifest a variety of intertwined ordered phases of charge, spin, orbital and other degrees of freedom. As a prototypical strongly correlated electronic system, the Kondo…
The metal-organic-framework (MOF) compound Cu$_3$(HOTP)$_2$, a.k.a. Cu$_3$(HHTP)$_2$, is a small-gap semiconductor containing a kagome lattice of antiferromagnetically coupled $S$=1/2 Cu$^\mathrm{II}$ spins with intra-layer nearest-neighbor…
Kagome superconductors $A$V$_3$Sb$_5$ ($A$ = Cs, K, Rb) have developed into an exciting playground for realizing and exploring exotic solid state phenomena. Abundant experimental evidence suggests that electronic structure breaks rotational…
The excitonic insulator (EI) state is a strongly correlated many-body ground state, arising from an instability in the band structure towards exciton formation. We show that the flat valence and conduction bands of a semiconducting diatomic…
The layered cobaltite [Ca$_2$CoO$_3$]$_{0.62}$[CoO$_2$], often expressed as the approximate formula Ca$_3$Co$_4$O$_9$, is a promising candidate for efficient oxide thermoelectrics but an origin of its unusual thermoelectric transport is…
We predict and examine various topological states on a two-dimensional (2D) triangular kagome lattice (TKL) using the tight-binding (TB) models and theory of topological quantum chemistry (TQC). Firstly, on the basis of TQC, we diagnose…
We predict that the square lattice layer formed by [Co$_2$N$_2$]$^{2-}$ diamond-like units can host high temperature superconductivity. The layer appears in the stable ternary cobalt nitride, BaCo$_2$N$_2$. The electronic physics of the…
Two-dimensional (2D) metallic lattices with kagome topology provide a unique platform for exploring the interplay between geometric frustration, reduced coordination, and lattice stability in elemental systems. Motivated by the recent…
We use first principles simulations to investigate the electronic properties of a set of carbon nanocages with a bipartite structure. These nanocages are exclusively formed by hexagonal and tetragonal rings and we show they feature frontier…
We have performed first-principles calculations of electronic and dielectric properties of single-layer bismuth (bismuthene) adsorbed with -COOH. We show that the Bi-COOH hybrid structure is a two-dimensional topological insulator with…
The form of the wave function at three-electron coalescence points is examined for several spin states using an alternative method to the usual Fock expansion. We find that, in two- and three-dimensional systems, the non-analytical nature…
The phase diagram of hole-doped copper oxides shows four different electronic phases existing at zero temperature. Familiar among these are the Mott insulator, high-transition-temperature superconductor and metallic phases. A fourth phase,…