相关论文: A two-dimensional hexagonal sheet of TiO$_2$

Silica or SiO$_2$, the main constituent of earth's rocks has several 3D complex crystalline and amorphous phases, but it does not have a graphite like layered structure in 3D. Our theoretical analysis and numerical calculations from the…

Higher-order topological insulators (HOTIs) are unique topological materials supporting edge states with the dimensionality at least by two lower than the dimensionality of the underlying structure. HOTIs were observed on lattices with…

Although many possible two-dimensional (2D) topological insulators (TIs) have been predicted in recent years, there is still lack of experimentally realizable 2D TI. Through first-principles and tight-binding simulations, we found an…

The emergence of two-dimensional (2D) materials launched a fascinating frontier of flatland electronics. Most crystalline atomic layer materials are based on layered van der Waals materials with weak interlayer bonding, which naturally…

TmZn2GaO5 is a newly synthesized triangular lattice magnet that exhibits a unique quantum phase characterized by strong Ising anisotropy, a pseudo-doublet crystal electric field ground state, and a low-energy gapped excitation at the K…

We propose two novel two-dimensional (2D) topological materials, (PtN$_4$)$_3$C$_{32}$ and (MnN$_4$)$_3$C$_{32}$, with a special geometry that we named as kagome-in-honeycomb (KIH) lattice structure, to illustrate the coexistence of the…

We model the electronic properties of thin films of binary compounds with stacked layers where each layer is a two-dimensional honeycomb lattice with two atoms per unit cell. The two atoms per cell are assigned different onsite energies in…

Working in a subspace with dimensionality much smaller than the dimension of the full Hilbert space, we deduce exact 4-particle ground states in 2D samples containing hexagonal repeat units and described by Hubbard type of models. The…

Correlated systems with hexagonal layered structures have come to fore with renewed interest in Cobaltates, transition-metal dichalcogenides and GdI2. While superconductivity, unusual metal and possible exotic states (prevented from long…

Atomically thin 2-dimensional heterostructures are a promising, novel class of materials with groundbreaking properties. The possiblity of choosing the many constituent components and their proportions allows optimizing these materials to…

Binary carbides demonstrate attractive set of physical properties that are suitable for numerous and diverse applications. In the present study, we have explored the structural properties, electronic structures, elastic constants, acoustic…

Different from the traditional bulk-edge correspondence principle, the discovery of higher-order topological states has generated widespread interest. In a second-order, two-dimensional elastic wave topological insulator, the fluctuation…

Low-dimensional magnetic systems based on honeycomb lattices provide a promising platform for exploring exotic quantum phenomena that emerge from the intricate interplay of competing spin, orbital, lattice, and dipolar degrees of freedom.…

The electronic structure and thermodynamic stability of tetragonal $\rm{BiFeO_3}$(001) surfaces have been investigated using density functional theory. In this work, four different structures having different lattice constants with two…

A first-principles atomic orbital-based electronic structure method is used to investigate the low index surfaces of rutile Titanium Dioxide. The method is relatively cheap in computational terms, making it attractive for the study of oxide…

Common two-dimensional (2D) materials have a layered 3D structure with covalently bonded, atomically thin layers held together by weak van der Waals forces. However, in a recent transmission electron microscopy experiment, atomically thin…

We report on band structure calculations and a microscopic model of the low-dimensional magnet beta-Cu2V2O7. Magnetic properties of this compound can be described by a spin-1/2 anisotropic honeycomb lattice model with the averaged coupling…

The lattice dynamics of TiO$_2$ in the rutile crystal structure was studied by a combination of thermal diffuse scattering, inelastic x-ray scattering and density functional perturbation theory. We experimentally confirm the existence of an…

Square-root topological states are new topological phases, whose topological property is inherited from the square of the Hamiltonian. We realize the first-order and second-order square-root topological insulators in phononic crystals, by…

Transition metal oxides are considered promising thermoelectric materials for harvesting high-temperature waste heat due to their stability, abundance and low toxicity. Despite their typically strong ionic character, they can exhibit…