相关论文: Using Topology to Predict Electrides in the Solid …

Topological materials host fascinating low dimensional gapless states at the boundary. As a prominent example, helical topological edge states (TESs) of two-dimensional topological insulators (2DTIs) and their stacked three-dimensional (3D)…

The recent discovery of ambient-pressure superconductivity in thin-film bilayer nickelates opens new possibilities for investigating electronic structures in this new class of high-transition temperature $T_C$ superconductors. Here, we…

The statistical mechanical approach to complex networks is the dominant paradigm in describing natural and societal complex systems. The study of network properties, and their implications on dynamical processes, mostly focus on locally…

Alkali metals display unexpected properties at high pressure, including emergence of low symmetry crystal structures, that appear to occur due to enhanced electronic correlations among the otherwise nearly-free conduction electrons. We…

Crystal structure prediction with theoretical methods is particularly challenging when unit cells with many atoms need to be considered. Here we employ a symmetry-driven structure search (SYDSS) method and combine it with density functional…

The theory of symmetry indicators has enabled database searches for topological materials in normal conducting phases, which has led to several encyclopedic topological material databases. To date, such a database for topological…

In complex crystals close to melting or at finite temperatures, different types of defects are ubiquitous and their role becomes relevant in the mechanical response of these solids. Conventional elasticity theory fails to provide a…

Utilizing a partitioning method based on equal (or unequal) probabilities -- without incorporating the alpha-cluster ($\alpha$-cluster) model -- allows for the derivation of diverse topological configurations of nuclear fragments resulting…

Topological states of matter are robust quantum phases, characterised by propagating or localised edge states in an insulating bulk. Topological boundary states can be triggered by various mechanisms, for example by strong spin-orbit…

Higher-order topological phases (HOTPs) host exotic topological states that go beyond the traditional bulk-boundary correspondence. Up to now, there is still a lack of experimentally measurable momentum-space topological characterization…

We propose an efficient computational methodology for predicting the synthesizability of high entropy oxides (HEOs) in a large space of possible candidate compounds. HEOs are a growing field with an enormous potential chemical composition…

We give a topological classification of defect lines in cholesteric liquid crystals using methods from contact topology. By focusing on the role played by the chirality of the material, we demonstrate a fundamental distinction between…

Inside the metals, semiconductors, and magnets of our everyday experience, electrons are uniformly distributed throughout the material. By contrast, electrons often form clumpy patterns inside of strongly correlated electronic systems…

We demonstrate the realization of (laterally) optically bounded colloidal structures on a liquid-liquid interface of an emulsion droplet. We use DNA tethers to graft the particles to the droplet surface, effectively confining them to a…

Topological phases of matter are defined by their nontrivial patterns of ground-state quantum entanglement, which is irremovable so long as the excitation gap and the protecting symmetries, if any, are maintained. Recent studies on…

Crystallization of the amorphous phases into metastable crystals plays a fundamental role in the formation of new matter, from geological to biological processes in nature to synthesis and development of new materials in the laboratory.…

In this work we used $\textit{ab-initio}$ random structure searching (AIRSS) to carry out a systematic search for crystalline Na-Ge materials at both 0 and 10 GPa. The high-throughput structural relaxations were accelerated using a…

Diffraction is the most common method to solve for unknown or partially known crystal structures. However, it remains a challenge to determine the crystal structure of a new material that may have nanoscale size or heterogeneities. Here we…

We propose a link prediction algorithm that is based on spring-electrical models. The idea to study these models came from the fact that spring-electrical models have been successfully used for networks visualization. A good network…

Nematic liquid crystals in a polyhedral domain, a prototype for bistable displays, may be described by a unit-vector field subject to tangent boundary conditions. Here we consider the case of a rectangular prism. For configurations with…