相关论文: First Principles Calculations for Topological Quan…

Topological phases of matter have sparked an immense amount of activity in recent decades. Topological materials are classified by topological invariants that act as a non-local order parameter for any symmetry and condition. As a result,…

We study amorphous systems with completely random sites and find that, through constructing and exploring a concrete model Hamiltonian, such a system can host an exotic phase of topological amorphous metal in three dimensions. In contrast…

The first law of thermodynamics imposes not just a constraint on the energy-content of systems in extreme quantum regimes, but also symmetry-constraints related to the thermodynamic processing of quantum coherence. We show that this…

The study of spatial symmetries was accomplished during the last century, and had greatly improved our understanding of the properties of solids. Nowadays, the symmetry data of any crystal can be readily extracted from standard…

Characterized by bulk Dirac or Weyl cones and surface Fermi-arc states, topological semimetals have sparked enormous research interest in recent years. The nanostructures, with large surface-to-volume ratio and easy field-effect gating,…

The Chern topological numbers of a material platform are usually written in terms of the Berry curvature, which depends on the normal modes of the system. Here, we use a gauge invariant Green's function method to determine from first…

Ab initio techniques have revolutionised the way in which theory can help practitioners to explore critical mechanisms that govern reactions or properties, and to develop new strategies for materials discovery and design. Yet, their…

A quantum computer can perform exponentially faster than its classical counterpart. It works on the principle of superposition. But due to the decoherence effect, the superposition of a quantum state gets destroyed by the interaction with…

The past decade's apparent success in predicting and experimentally discovering distinct classes of topological insulators (TIs) and semimetals masks a fundamental shortcoming: out of 200,000 stoichiometric compounds extant in material…

Topological materials present unconventional electronic properties that make them attractive for both basic science and next-generation technological applications. The majority of currently known topological materials have been discovered…

Transition metal oxides belong to a genre of quantum materials essential for the exploration of theoretical methods for quantifying electronic correlation. Finding an efficient and accurate first principles method for the assertion of such…

The past few years have seen a revived interest in quantum geometrical characterizations of band structures due to the rapid development of topological insulators and semi-metals. Although the metric tensor has been connected to many…

Accurate band offsets are essential for predictive continuum modeling of nanostructures such as quantum wells and quantum dots formed in strained Si/Si1-xGex and Ge/Si1-xGex heterostructures. Experimental offset data for these systems…

The topological mechanics is a perfect tool that can bridge the gap between the quantum and Newtonian physics and mechanics of materials. It requires discrete models of the material with analogies with the topological characteristics of…

Topological semimetals have emerged as an important class of quantum materials with novel electronic responses and unconventional transport phenomena. Among them, nodal-line semimetals are distinguished by band crossings that extend along…

Topological insulators represent a new quantum state of matter which is characterized by peculiar edge or surface states that show up due to a topological character of the bulk wave functions. This review presents a pedagogical account on…

The discoveries of intrinsically magnetic topological materials, including semimetals with a large anomalous Hall effect and axion insulators, have directed fundamental research in solid-state materials. Topological quantum chemistry has…

Topology is being widely adopted to understand and to categorize quantum matter in modern physics. The nexus of topology orders, which engenders distinct quantum phases with benefits to both fundamental research and practical applications…

Topological insulators (TIs) are materials that are insulating in the bulk but have zero band gap surface states with linear dispersion and are protected by time reversal symmetry. These unique characteristics could pave the way for many…

The non-classical features of quantum mechanics are reproduced using models constructed with a classical theory - general relativity. The inability to define complete initial data consistently and independently of future measurements,…