Related papers: Calculation of 2D electronic band structure using …
In this report we present an investigation of the optical properties and band structure calculations for the photonic structures based on the functional materials- ferroelectrics. A theoretical approach to the optical properties of the 2D…
A flat energy dispersion of electrons at the Fermi level of a material leads to instabilities in the electronic system and can drive phase transitions. Here we introduce a method to induce a flat band in two-dimensional (2D) materials. We…
In this work, we reconsider the study of 2D materials involving double lattice structures associated with periodic polygons. In tessellated periodic representation, it appears two periodic polygons of $k$ sides of unequal side lengths at…
In this paper, we compute the band structure of one- and two-dimensional phononic composites using the extended finite element method (X-FEM) on structured higher-order (spectral) finite element meshes. On using partition-of-unity…
Interactions between stacked two-dimensional (2D) atomic crystals can radically change their properties, leading to essentially new materials in terms of the electronic structure. Here we show that monolayers placed on an atomically flat…
We study the relationship between the shape of the electronic band structure and the thermoelectric properties. In order to study the band shape dependence of the thermoelectric properties generally, we first adopt models with band…
Li2Pd3B is known to be superconducting, while the isotypical Li2Pt3B compound is not. Electronic structures of Li2Pd3B and Li2Pt3B have been calculated in order to obtain an insight into this surprising difference, through an analysis of…
The design and development of new photonic devices for technological applications requires a deep understanding of the effect of structural properties on the resulting band gap size and its position. Here, we perform a theoretical study of…
The honeycomb lattice sets the basic arena for numerous ideas to implement electronic, photonic, or phononic topological bands in (meta-)materials. Novel opportunities to manipulate Dirac electrons in graphene through band engineering arise…
We present a high-accuracy procedure for electronic structure calculations of strongly correlated materials. To address limitations in current electronic structure methods, we employ density functional theory in combination with the…
Cavity magnomechanics has become an ideal platform to explore macroscopic quantum effects. Bringing together magnons, phonons, and photons in a system, it opens many opportunities for quantum technologies. It was conventionally realized by…
In this document we explore graphene, a two-dimensional material with remarkable properties. We center our discussion around its electronic characteristics and their applications. We begin by giving a simple electronic model which will then…
Motivated by the recent discovery of Mott insulating phase and unconventional superconductivity due to the flat bands in twisted bilayer graphene, we propose more generic ways of getting two-dimensional (2D) emergent flat band lattices…
We compute the electronic structure of two-dimensional (2D) materials decorated with self-assembled organic monolayers using density functional theory. We find that 2D materials are strongly impacted by near-field electrostatic effects…
We employ a magnetocapacitance technique to study the spectrum of the soft two-subband (or double-layer) electron system in a parabolic quantum well with a narrow tunnel barrier in the centre. In this system unbalanced by gate depletion, at…
The magnetic ground state phase diagram of the ferromagnetic Kondo-lattice model is constructed by calculating internal energies of all possible bipartite magnetic configurations of the simple cubic lattice explicitly. This is done in one…
We consider the electromagnetic propagation in two-dimensional photonic crystals, formed by parallel dielectric cylinders embedded a uniform medium. The frequency band structure is computed using the standard plane-wave expansion method,…
We present a flexible method that can calculate Bloch modes, complex band structures, and impedances of two-dimensional photonic crystals from scattering data produced by widely available numerical tools. The method generalizes previous…
Strongly correlated materials exhibit exotic electronic states arising from the strong correlation between electrons. Dimensionality provides a tuning knob because thinning down to atomic thickness reduces screening effects and enhances…
We introduce the idea that the electronic band structure of a charge density wave system may mimic the electronic structure of graphene. In that case a class of materials quite different from graphene might be opened up to exploit…