Discovering new two-dimensional topological insulators from computational screening

We have performed a computational screening of topological two-dimensional (2D) materials from the Computational 2D Materials Database (C2DB) employing density functional theory. A full \textit{ab initio} scheme for calculating hybrid Wannier functions directly from the Kohn-Sham orbitals has been implemented and the method was used to extract $\mathbb{Z}_2$ indices, Chern numbers and Mirror Chern numbers of 3331 2D systems including both experimentally known and hypothetical 2D materials. We have found a total of 46 quantum spin Hall insulators, 7 quantum anomalous Hall insulators and 9 crystalline topological insulators that are all predicted to be dynamically stable. Roughly one third of these were known prior to the screening. The most interesting of the novel topological insulators are investigated in more detail. We show that the calculated topological indices of the quantum anomalous Hall insulators are highly sensitive to the approximation used for the exchange-correlation functional and reliable predictions of the topological properties of these materials thus require methods beyond density functional theory. We also performed $GW$ calculations, which yield a gap of 0.65 eV for the quantum spin Hall insulator PdSe$_2$ in the MoS$_2$ crystal structure. This is significantly higher than any known 2D topological insulator and three times larger than the Kohn-Sham gap.Comment: 12 page

Topological Insulator in an Atomic Liquid

We demonstrate theoretically an atomic liquid phase that supports topologically nontrivial electronic structure. A minimum two-orbital model of liquid topological insulator in two dimensions is constructed within the framework of tight-binding molecular dynamics. As temperature approaches zero, our simulations show that the atoms crystallize into a triangular lattice with nontrivial band topology at high densities. Thermal fluctuations at finite temperatures melt the lattice, giving rise to a liquid state which inherits the nontrivial topology from the crystalline phase. The electronic structure of the resultant atomic liquid is characterized by a nonzero Bott index. Our work broadens the notion of topological materials, and points to a new systematic approach for searching topological phases in amorphous and liquid systems.Comment: 5 pages, 4 figure

Weaving quantum optical frequency combs into continuous-variable hypercubic cluster states

Cluster states with higher-dimensional lattices that cannot be physically embedded in three-dimensional space have important theoretical interest in quantum computation and quantum simulation of topologically ordered condensed-matter systems. We present a simple, scalable, top-down method of entangling the quantum optical frequency comb into hypercubic-lattice continuous-variable cluster states of a size of about 10^4 quantum field modes, using existing technology. A hypercubic lattice of dimension D (linear, square, cubic, hypercubic, etc.) requires but D optical parametric oscillators with bichromatic pumps whose frequency splittings alone determine the lattice dimensionality and the number of copies of the state.Comment: 8 pages, 5 figures, submitted for publicatio

Random volumes from matrices

We propose a class of models which generate three-dimensional random volumes, where each configuration consists of triangles glued together along multiple hinges. The models have matrices as the dynamical variables and are characterized by semisimple associative algebras A. Although most of the diagrams represent configurations which are not manifolds, we show that the set of possible diagrams can be drastically reduced such that only (and all of the) three-dimensional manifolds with tetrahedral decompositions appear, by introducing a color structure and taking an appropriate large N limit. We examine the analytic properties when A is a matrix ring or a group ring, and show that the models with matrix ring have a novel strong-weak duality which interchanges the roles of triangles and hinges. We also give a brief comment on the relationship of our models with the colored tensor models.Comment: 33 pages, 31 figures. Typos correcte

Entanglement branching operator

We introduce an entanglement branching operator to split a composite entanglement flow in a tensor network which is a promising theoretical tool for many-body systems. We can optimize an entanglement branching operator by solving a minimization problem based on squeezing operators. The entanglement branching is a new useful operation to manipulate a tensor network. For example, finding a particular entanglement structure by an entanglement branching operator, we can improve a higher-order tensor renormalization group method to catch a proper renormalization flow in a tensor network space. This new method yields a new type of tensor network states. The second example is a many-body decomposition of a tensor by using an entanglement branching operator. We can use it for a perfect disentangling among tensors. Applying a many-body decomposition recursively, we conceptually derive projected entangled pair states from quantum states that satisfy the area law of entanglement entropy.Comment: 11 pages, 13 figure