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Understanding the structure of ZnO surface reconstructions and their resultant properties is crucial to the rational design of ZnO-containing devices ranging from optoelectronics to catalysts. Here, we are motivated by recent experimental…
Two-dimensional (2D) materials have emerged as promising platforms for quantum technologies and optoelectronics, with defects playing a crucial role in their properties. We present a comprehensive density functional theory study of silicon…
Symmetries in Quantum Field Theory may have 't Hooft anomalies. If the symmetry is unbroken in the vacuum, the anomaly implies a nontrivial low-energy limit, such as gapless modes or a topological field theory. If the symmetry is…
The surface curvature of membranes, interfaces, and substrates plays a crucial role in shaping the self-assembly of particles adsorbed on these surfaces. However, little is known about the interplay between particle anisotropy and surface…
We study the stability of topologically protected zero-energy flat bands at the surface of nodal noncentrosymmetric superconductors, accounting for the alteration of the gap near the surface. Within a selfconsistent mean-field theory, we…
Iron-based superconductors offer an ideal platform for studying topological superconductivity and Majorana fermions. In this paper, we carry out a comprehensive study of the band topology and topological surface states of a number of…
We provide a derivation of holographic entanglement entropy for spherical entangling surfaces. Our construction relies on conformally mapping the boundary CFT to a hyperbolic geometry and observing that the vacuum state is mapped to a…
We discuss physical properties of `integer' topological phases of bosons in D=3+1 dimensions, protected by internal symmetries like time reversal and/or charge conservation. These phases invoke interactions in a fundamental way but do not…
Density functional theory (DFT) has been used to estimate vacancy formation enthalpy (H_fv) for a few transition metals like nickel (Ni) and copper (Cu). It is shown that, for these metals, H_fv is underestimated considerably by DFT. The…
We study the holographic entanglement entropy of deformed entangling regions in three-dimensional CFTs dual to Einstein-AdS gravity, using a renormalization scheme based on the addition of extrinsic counterterms. In this prescription, when…
A geometrically nonlinear continuum mechanical theory is formulated for deformation and failure behaviors of amorphous polymers. The model seeks to capture material response over a range of loading rates, temperatures, and stress states…
Atomic collapse can be observed in graphene because of its large "effective" fine structure constant, which enables this phenomenon to occur for an impurity charge as low as $Z_c\sim 1-2$. Here, we investigate the effect of the sublattice…
In recent years, nanostructures with hexagonal polytypes of gold have been synthesised, opening new possibilities in nanoscience and technology. As bulk gold crystallizes in the \textit{fcc} phase, surface effects can play an important role…
We numerically investigate critically delocalized wavefunctions in models of 2D Dirac fermions, subject to vector potential disorder. These describe the surface states of 3D topological superconductors, and can also be realized through…
In the holographic AdS/QCD approach, the confinement/deconfinement transition is associated with the Hawking-Page transition of a thermal anti-de Sitter (AdS) space to an AdS black hole. In the case of the hard wall model, the thermal…
The quantum-mechanical collapse (alias fall onto the center of particles attracted by potential -1/r^2), or "quantum anomaly", is a well-known issue in the quantum theory. We demonstrate that the mean-field repulsive nonlinearity prevents…
The atomic and electronic structure of positively charged P vacancies on InP(110) surfaces is determined by combining scanning tunneling microscopy, photoelectron spectroscopy, and density-functional theory calculations. The vacancy…
We show that finite-size violations of local electroneutrality in confined electrolytes are governed by the topology of the confining domain, yielding a universal hierarchy of deviations across spherical, cylindrical, and planar geometries.…
Pitting corrosion is a much-studied and technologically relevant subject. However, the fundamental mechanisms responsible for the breakdown of the passivating oxide layer are still subjects of debate. Chloride anions are known to accelerate…
Disordered metasurfaces provide a versatile platform for harnessing near- and far-field scattered light. Most research has focused on either particulate topologies composed of individual, well-identified metaatoms or, to a lesser extent,…