相关论文: A two-dimensional hexagonal sheet of TiO$_2$
Heterostructures of stacked two-dimensional lattices have shown great promise for engineering novel material properties. As an archetypal example of such a system, the hexagon-shared honeycomb-kagome lattice has been experimentally…
A new-type structural transition has been found in Li2RuO3 with honeycomb lattice of edge-sharing RuO6-octahedra. With decreasing temperature T, the electrical resistivity exhibits an anomalous increase at T=Tc~540 K, suggesting the (metal…
Honeycomb lattice can support electronic states exhibiting Dirac energy dispersion, with graphene as the icon. We propose to derive nontrivial topology by grouping six neighboring sites of honeycomb lattice into hexagons and enhancing the…
Two-dimensional materials can stabilize crystal structures that are absent from their bulk counterparts, offering opportunities for materials design. Here, we report the synthesis of a previously unknown hexagonal Fe$_2$S$_2$ single layer…
Two-dimensional honeycomb crystals have inspired intense research interest for their novel properties and great potential in electronics and optoelectronics. Here, through molecular beam epitaxy on SrTiO3(001), we report successful…
The discovery of graphene makes it highly desirable to seek new two-dimensional materials. Through first-principles investigation, we predict two-dimensional materials of ReN$_{2}$: honeycomb and tetragonal structures. The phonon spectra…
The Kitaev model of spin-1/2 on a honeycomb lattice supports degenerate topological ground states and may be useful in topological quantum computation. Na$_{2}$IrO$_{3}$ with honeycomb lattice of Ir ions have been extensively studied as…
Titanium dioxide (TiO2) is a wide band gap semiconducting material which is promising for photocatalysis. Here we present first-principles calculations to study the pressure dependence of structural and electronic properties of two TiO2…
The search for topological semimetals is mainly focused on heavy-element compounds as following the footsteps of previous research on topological insulators, with less attention on light-element materials. However, the negligible spin orbit…
In these lectures I consider the half-filled two-dimensional (2D) Hubbard model on the honeycomb lattice and I review the rigorous construction of its ground state properties by making use of constructive fermionic Renormalization Group…
Higher-order topological phase in 2-dimensional (2D) systems is characterized by in-gap corner states, which are hard to detect and utilize. We numerically investigate transport properties of topological corner states in 2D honeycomb…
Customarily, in-plane auxeticity and synclastic bending behavior (i.e. out-of-plane auxeticity) are not independent, being the latter a manifestation of the former. Basically, this is a feature of three-dimensional bodies. At variance,…
A comprehensive phase diagram of lowest-energy structures and compositions of the rutile TiO_2(110) surface in equilibrium with a surrounding gas phase at finite temperatures and pressures has been determined using density functional theory…
Interest in two dimensional materials has exploded in recent years. Not only are they studied due to their novel electronic properties, such as the emergent Dirac Fermion in graphene, but also as a new paradigm in which stacking layers of…
A two-dimensional bistable lattice is a periodic triangular network of non-linear bi-stable rods. The energy of each rod is piecewise quadratic and has two minima. Consequently, a rod undergoes a reversible phase transition when its…
There have existed for a long time a paradigm that TiO phases at ambient conditions are stable only if structural vacancies are available. Using an evolutionary algorithm, we perform an ab initio search of possible zero-temperature…
Understanding the mechanism of the heterojunction is an important step towards controllable and tunable interfaces for photocatalytic and photovoltaic based devices. To this aim, we propose a thorough study of a double heterostructure…
Ab-initio, self-consistent electronic energy bands of rutile TiO2 are reported within the local density functional approximation (LDA). Our first principle, non-relativistic and ground state calculations employed a local density functional…
Square-root higher-order topological insulators (HOTIs) are recently discovered new topological phases, with intriguing topological properties inherited from a parent lattice Hamiltonian. Different from conventional HOTIs, the square-root…
Because of its novel physical properties, two-dimensional materials have attracted great attention. From first-principle calculations and vibration frequenceis analysis, we predict a new family of two-dimensional materials based on the idea…