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The suite of highly confined polaritons supported by two-dimensional (2D) materials constitutes a versatile platform for nano-optics, offering the means to channel light on deep-subwavelength scales. Graphene, in particular, has attracted…

In this Letter, we introduce a paradigm to realize magneto-mechanical metastructures inspired by multi-layer 2D materials, such as graphene bilayers. The metastructures are intended to capture two aspects of their nanoscale counterparts.…

Many-body interactions between quasiparticles (electrons, excitons, and phonons) have led to the emergence of new complex correlated states and are at the core of condensed matter physics and material science. In low-dimensional materials,…

Very recently, field-effect transistors based on few-layer phosphorene crystals with thickness down to a few nanometres have been successfully fabricated, triggering interest in this new functional two-dimensional material. In this work, we…

Dielectric screening is greatly important to an accurate calculation of the exciton binding energies in two-dimensional materials. In this work, we calculate the dielectric function and 2D polarizability of multilayer (up to three)…

Bandgap control is of central importance for semiconductor technologies. The traditional means of control is to dope the lattice chemically, electrically or optically with charge carriers. Here, we demonstrate for the first time a widely…

The presence of 2D electron gases at surfaces or interfaces in oxide thin films remains a hot topic in condensed matter physics. In particular, BaBiO3 appears as a very interesting system as it was theoretically proposed that its (001)…

Building two-dimensional (2D) van der Waals (vdW) heterostructures and enhancing their properties through strain engineering unlocks new applications for their constituent materials. In this study, we present a comprehensive…

We have examined theoretically the electronic band structure and Fermi surface of tetragonal low-temperature superconductor Bi2Pd. Our main results are that (i) the Pd 4d and Bi 6p states determine the main peculiarities of the…

The remarkable properties of graphene stem from its two-dimensional (2D) structure, with a linear dispersion of the electronic states at the corners of the Brillouin zone (BZ) forming a Dirac cone. Since then, other 2D materials have been…

Hybrid materials, containing a 2D filler embedded in a polymeric matrix, are an interesting platform for several applications, because of the variety of properties that the filler can impart to the polymer matrix when dispersed at the…

Silicon-based two-dimensional (2D) materials, including well-known silicene, have garnered considerable attention due to their potential in advanced electronic and optoelectronic applications. Here, we introduce a novel 2D silicon variant,…

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…

The electronic band gap in conventional semiconductor materials, such as silicon, is fixed by the material's crystal structure and chemical composition. The gap defines the material's transport and optical properties and is of great…

The two-dimensional (2D) semiconductor indium selenide (InSe) has attracted significant interest due its unique electronic band structure, high electron mobility and wide tunability of its band gap energy achieved by varying the layer…

We investigate the electronic and optical properties of monolayer and stacking dependent bilayer blue phosphorus in the framework of density functional theory (DFT) and tight-binding approximations. We extract the hopping parameters of TB…

Full ranges of both hybrid plasmon-mode dispersions and their damping are studied systematically by our recently developed mean-field theory in open systems involving a conducting substrate and a two-dimensional (2D) material with a buckled…

Vertical integration of two-dimensional materials has recently emerged as an exciting method for the design of novel electronic and optoelectronic devices. Using density functional theory, we investigatethe structural and electronic…

We report here the structural and electronic properties of graphene and silicene (silicon analogue of graphene) investigated using first-principles calculations of their ground state energies employing full-potential (linearized) augmented…

Atomically thin 2D materials provide a wide range of basic building blocks with unique properties, making them ideal for heterogeneous integration with a mature chip platform. An understanding the role of excitons in transition metal…