相关论文: Kagom\'e in triangular lattice: electronic state o…
Inhomogeneous electronic states resulting from entangled spin, charge, and lattice degrees of freedom are hallmarks of strongly correlated electron materials; such behavior has been observed in many classes of d-electron materials,…
Using density functional theory plus self-consistent Hubbard $U$ (DFT$+U_{sc}$) calculations, we have investigated the structural and electronic properties of the rare-earth cobaltites \textit{R}CoO$_3$ (\textit{R} = Pr -- Lu). Our…
Electronic structure and dielectric property in an electronic ferroelectricty, where electric polarization is driven by an electronic charge order without inversion symmetry, are studied. Motivated from layered iron oxides, roles of quantum…
The growing skill in the synthesis processes of new materials has intensified the interest in exploring the properties of systems modeled by more complex lattices. Two-dimensional super-honeycomb lattices, have been investigated in metallic…
Coulomb interactions among charge carriers that occupy an electronic flat band have a profound impact on the macroscopic properties of materials. At sufficient strength, these interactions can give rise to captivating phenomena such as…
We study electrons hopping on a kagome lattice at third filling described by an extended Hubbard Hamiltonian with on-site and nearest-neighbour repulsions in the strongly correlated limit. As a consequence of the commensurate filling and…
In electrochemical systems, the structure of electrical double layers (EDLs) near electrode surfaces is crucial for energy conversion and storage functions. While the electrodes in real-world systems are usually heterogeneous, to date the…
Present work investigates the magnetic and electronic structure of MgO/Fe/MgO/Fe/Co/Au multilayer stack grown on Si(100) substrates by electron beam evaporation method. X-ray diffraction study depicts polycrystalline nature of the…
In spin-charge coupled systems, geometrical frustration of underlying lattice structures can give rise to nontrivial magnetic orders and electronic states. Here we explore such a possibility in the Kondo lattice model with classical…
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 pyrochlore lattice materials can exhibit geometrical frustration, while the related many-body electronic states remain elusive. In this work, we performed scanning tunneling microscopy measurements on the pyrochlore superconductor CsBi2…
The 3D ternary Li$_2$GeO$_3$ compound, which could serve as the electrolyte material in Li+-based batteries, exhibits an unusual lattice symmetry (orthorhombic crystal), band structure, charge density distribution and density of states. The…
The spinel cobalt oxide Co3O4 is a magnetic semiconductor containing cobalt ions in Co2+ and Co3+ oxidation states. We have studied the electronic, magnetic and bonding properties of Co3O4 using density functional theory (DFT) at the…
First-principles electronic band structure investigations of five compounds of the CaO-Al2O3 family, 3CaO.Al2O3, 12CaO.7Al2O3, CaO.Al2O3, CaO.2Al2O3 and CaO.6Al2O3, as well as CaO and alpha-, theta- and kappa-Al2O3 are performed. We find…
We report studies of the phase diagrams of two two-dimensional systems composed of particles with repulsive pair potentials, each of which supports a high-density Kagome lattice phase. The commonalities in the phase diagrams of the systems…
We present first principles density functional calculations and downfolding studies of the electronic and magnetic properties of the layered quantum spin system TiOCl. We discuss explicitely the nature of the exchange pathes and attempt to…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
We study the electronic structure of delafossite PtCoO$_2$ to elucidate its extremely small resistivity and high mobility. The band exhibits steep dispersion near the Fermi level despite the fact that it is formed mainly by Pt $d$ orbitals…
Using density functional theory calculations including an on-site Coulomb term, we explore electronic and possibly topologically nontrivial phases in $3d$ transition metal oxide honeycomb layers confined in the corundum structure…
We study low temperature properties of atomic gases in trimerized optical kagom\'{e} lattices. The laser arrangements that can be used to create these lattices are briefly described. We also present explicit results for the coupling…