Related papers: Uncovering vacuum level in infinite solid by real-…

In this paper, we propose a new type of bulk-boundary correspondence as a generic approach to theoretically and experimentally detect fragile topological states. When the fragile phase can be written as a difference of a trivial atomic…

The fidelity between two infinitesimally close states or the fidelity susceptibility of a system are known to detect quantum phase transitions. Here we show that the k-space fidelity between two states far from each other and taken deep…

Topology is now securely established as a means to explore and classify electronic states in crystalline solids. This review provides a gentle but firm introduction to topological electronic band structure suitable for new researchers in…

Modern computing facilities grant access to first-principles density-functional theory study of complex physical and chemical phenomena in materials, that require large supercell to properly model the system. However, supercells are…

We examine bulk and surface bound states in the continuum (BIC) that is, square-integrable, localized modes embedded in the linear spectral band of a discrete lattice including interactions to first-and second nearest neighbors. We suggest…

We introduce a practical and efficient approach for calculating the all-electron full potential bandstructure in real space, employing a finite element basis. As an alternative to the k-space method, the method involves the self-consistent…

The most fundamental response of a solid to a plasma and vice versa is electric. An electric double layer forms with a solid-bound electron-rich region-the wall charge-and a plasma-bound electron-depleted region-the plasma sheath. But it is…

The complete band representations (BRs) have been constructed in the work of topological quantum chemistry. Each BR is expressed by either a localized orbital at a Wyckoff site in real space, or by a set of irreducible representations in…

Topological band theory provides a conceptual framework to predict or even engineer robust metallic states at the boundaries of topologically distinct phases. The bulk-boundary correspondence requires that a topological electronic phase…

A survey is presented of current investigations of the impact of band structure effects on various aspects of the interaction of charged particles with real solids. The role that interband transitions play in the decay mechanism of bulk…

The recent discovery of a topological phase transition in IV-VI narrow-gap semiconductors has revitalized the decades-old interest in the bulk band inversion occurring in these materials. Here we systematically study the (001) surface…

In this paper, we provide a comprehensive theoretical analysis of the electronic structure of InAs(111) surfaces with a special attention paid to the energy region close to the fundamental bandgap. Starting from the bulk electronic…

In this continuum theory, we propose a mathematical framework to study the mechanical interplay of bulk-surfaces materials undergoing deformation and phase segregation. To this end, we devise a principle of virtual powers with a…

A scattering method is used to calculate the surface band structure of Al(111) from 8.6 eV below the Fermi level to 9 eV above it. This method has rarely been implemented previously. The complete complex bulk and surface band structure is…

Recent discoveries have spurred the theoretical prediction and experimental realization of novel materials that have topological properties arising from band inversion. Such topological insulators are insulating in the bulk but have…

We explore the gapless topological phases of a $p$-wave superconductor, probing its rich topologically ordered phases and underlying quantum phenomena. The topological order of the system is characterized by studying its entanglement…

The infrared problems of quantum electrodynamics, in contrast to ultraviolet difficulties which are of technical nature, are related to fundamental, conceptual physical questions, such as: what is a charged particle, is the particle…

Complex band structure generalizes conventional band structure by also considering wavevectors with complex components. In this way, complex band structure describes both the bulk-propagating states from conventional band structure and the…

According to the bulk-edge correspondence principle, the physics of the gapless edge in the quantum Hall effect determines topological order in the gapped bulk. As the bulk is less accessible, the last two decades saw the emergence of…

The approximate representation of a quantum solid as an equivalent composite semi-classical solid is considered for insulating materials. The composite is comprised of point ions moving on a potential energy surface. In the classical bulk…