Related papers: Structural distortions in monolayers of binary sem…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
Ferroelectricity is usually found in compound materials composed by different elements. Here, based on first-principles calculations, we reveal the first example of spontaneous electrical polarization and ferroelectricity in stable…
We present a scheme of interaction-induced topological bandstructures based on the spin anisotropy of exciton-polaritons in semiconductor microcavities. We predict theoretically that this scheme allows the engineering of topological gaps,…
We simulate the electronic and transport properties of metal/two-dimensional material/metal vertical heterostructures, with a focus on graphene, hexagonal boron nitride and two phases of molybdenum diselenide. Using density functional…
The quasi-particle spectra in the metallic rutile and insulating monoclinic phases of VO$_2$ are shown to be dominated by local Coulomb interactions. In the rutile phase the small orbital polarization among V 3d t_2g states leads to weak…
We study the behavior of negatively charged colloids with two positively charged polar caps close to a planar patterned surface. The competition between the different anisotropic components of the particle-particle interaction patterns is…
The low-energy properties of two-dimensional ensembles of dipole-coupled magnetic nanoparticles are studied as function of structural disorder and particle coverage. Already small deviations from a square particle arrangement lift the…
Van der Waals heterostructures composed of transition metal dichalcogenide monolayers (TMDs) are characterized by their truly rich excitonic properties which are determined by their structural, geometric and electronic properties: In…
This work theoretically analyzes electronic ordering in AA-stacked bilayer graphene and the role of the Coulomb interaction in these many-body phenomena. Using the random phase approximation to account for screening, we find intra-layer…
The properties of graphene-like BC$_6$N semiconductor are studied using density functional theory taking into account the attractive interaction between B and N atoms. In the presence of a strong attractive interaction between B and N…
Manipulating the interlayer twist angle is a powerful tool to tailor the properties of layered two-dimensional crystals. The twist angle has a determinant impact on these systems' atomistic structure and electronic properties. This includes…
We study by quantum Monte Carlo simulations the low-temperature phase diagram of dipolar bosons confined to one dimension, with dipole moments aligned along the direction of particle motion. A hard core repulsive potential of varying range…
We consider the coupling between an external electric field and dissociated ions embedded in anisotropic polarizable media such as block copolymers. We argue that the presence of such ions can induce strong morphological changes and even…
We compare the models that have been proposed in the literature for the atomic structure of the 90-degree partial dislocation in the homopolar semiconductors, silicon, diamond, and germanium. In particular, we examine the traditional…
Two-dimensional (2D) semiconducting transition metal dichalcogenides (TMDs) can withstand a large deformation without fracture or inelastic relaxation, making them attractive for application in novel strain-engineered and flexible…
As a way to further improve the electronic properties of group V layered semiconductors, we propose to form in-layer 2D heterostructures of black phosphorus and grey arsenic. We use \textit{ab initio} density functional theory to optimize…
The optics of dangling-bond-free van der Waals heterostructures containing transition metal dichalcogenides are dominated by excitons. A crucial property of a confined exciton is the quantum confined Stark effect (QCSE). Here, such a…
We study theoretically effects of an anisotropic elastic strain on the exciton energy spectrum fine structure and optical selection rules in atom-thin crystals based on transition-metal dichalcogenides. The presence of strain breaks the…
We study non-linear phenomena in double barrier heterostructures. Systems in 3D under the effect of an external magnetic field along the current and 1D systems are analyzed. Non-linearities are reflected in the I-V characteristic curve as…
Colloidal particles self assemble into a wide range of structures under external AC electric fields due to induced dipolar interactions [Yethiraj and Van Blaaderen Nature 421 513 (2003)]. As a result of these dipolar interactions, at low…