相关论文: WannierTools: An open-source software package for …

van der Waals stacking of two-dimensional (2D) materials offers a powerful platform for engineering material interfaces with tailored electronic and optical properties. While most van der Waals multilayers have featured inorganic…

The hallmark of topological crystalline insulators is the emergence of a robust electronic state in a bandgap localized at the boundary of the material. However, end, edge, and surface states can also have a nontopological origin.…

The emerging field of twistronics, which harnesses the twist angle between two-dimensional materials, represents a promising route for the design of quantum materials, as the twist-angle-induced superlattices offer means to control topology…

Although topological invariants have been introduced to classify the appearance of protected electronic states at surfaces of insulators, there are no corresponding indexes for Weyl semimetals whose nodal points may appear randomly in the…

Moire superlattices formed by stacking atomically thin two-dimensional materials with a relative twist angle have emerged as a versatile platform for engineering quantum electronic, optical, and ferroic properties. Computational modelling…

We present WOFRY (Wave Optics FRamework in pYthon), a specialized toolbox designed for wave optics modeling, with particular emphasis on partial coherence. This package is tailored to assist synchrotron scientists and engineers in the…

We present an open source software package SpectroLab a Matlab-based tool developed in 2018 for the analysis of spectroscopic data. In this package, there are tools for derivative analysis, stacked energy contours, stacked plots for theory,…

We present a new code to evaluate thermoelectric and electronic transport properties of extended systems with a maximally-localized Wannier function basis set. The semiclassical Boltzmann transport equations for the homogeneous infinite…

We present PYATB, a Python package designed for computing band structures and related properties of materials using the ab initio tight-binding Hamiltonian. The Hamiltonian is directly obtained after conducting self-consistent calculations…

Topological insulators and topological semimetals are both new classes of quantum materials, which are characterized by surface states induced by the topology of the bulk band structure. Topological Dirac or Weyl semimetals show linear…

Two-dimensional topological materials (TMs) have a variety of properties that make them attractive for applications including spintronics and quantum computation. However, there are only a few such experimentally known materials. To help…

We present the first public release of ShapePipe, an open-source and modular weak-lensing measurement, analysis, and validation pipeline written in Python. We describe the design of the software and justify the choices made. We provide a…

Amorphous solids remain outside of the classification and systematic discovery of new topological materials, partially due to the lack of realistic models that are analytically tractable. Here we introduce the topological Weaire-Thorpe…

Vertically oriented materials, such as van der Waals heterostructures, that have novel hybrid properties are crucial for fundamental scientific research and the design of new nano-devices. Currently, most available theoretical methods…

We argue that various kinds of topological insulators (TIs) can be insightfully characterized by an inspection of the charge centers of the hybrid Wannier functions, defined as the orbitals obtained by carrying out a Wannier transform on…

Synthesis of new materials demands structural analysis tools suited to the particularities of each system. Van der Waals (vdW) materials are fundamental in emerging technologies of spintronics and quantum information processing, in…

Berry phases offer a geometric perspective on wave propagation and are key to designing materials with topological wave transport. However, controlling Berry phases is challenging due to their dependence on global integrals over the…

Twisted vdW quantum materials have emerged as a rapidly developing field of 2D semiconductors. These materials establish a new central research area and provide a promising platform for studying quantum phenomena and investigating the…

We present an experimental scanning-based tomography approach for near-term quantum devices. The underlying method has previously been introduced in an ensemble-based NMR setting. Here we provide a tutorial-style explanation along with…

Experimentally feasible methods to determine the Berry phase, a fundamental quantity characterizing a quantum material, are often needed in applications. We develop an approach to detecting the Berry phase by using a class of…