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Being one of the strongest materials, ternary TiSiN exhibits a very interesting family of binary transition metal nitride and silicide systems. A novel technique to fabricate morphologically fascinating nano and micro structures of TiSiN is…
This paper advocates for an innovative approach designed for estimating optoelectronic properties of quantum structures utilizing Tight-Binding (TB) theory. Predicated on the comparative analysis between estimated and actual properties, the…
In this work, we investigated the influence of base pairing and {\pi}-{\pi} stacking interactions on electron attachment induced shape resonances in the adenine-thymine (AT) base pair. Resonance positions and widths are computed using a…
Polarons are widespread in functional materials and are key to device performance in several technological applications. However, their effective impact on material behavior remains elusive, as condensed matter studies struggle to capture…
An electric charge near the surface of a topological insulator (TI) induces an image magnetic monopole. Here we study the spectra of hydrogenlike ions near the surface of a planar TI, taking into account the modifications which arise due to…
Polaron spectral functions are computed for highly doped graphene-on-substrate and other atomically thin graphitic systems using the diagrammatic Monte Carlo technique. The specific aim is to investigate the effects of interaction on…
Integrated photonic circuits offer a promising route for studying coherent cooperative effects of a controlled collection of quantum emitters. However, spectral inhomogeneities, decoherence and material incompatibilities in the solid state…
The structural, electronic, mechanic, vibrational and thermodynamic properties of Ti2SiB which is a hypothetical MAX phase compound, have been investigated using density functional theory calculations. The structural optimization of Ti2SiB…
We carry out a detailed study of the role of electronic interaction on $p$ oxygen orbitals in a Mott insulator oxide (UO$_2$) and a charge transfer oxide (TiO$_2$). First, we calculate values of effective interactions \Uff, \Upp{} and…
The interaction of electromagnetic radiation with a spheric-type three-dimensional topological insulator (TI) bead is described within classical optics framework. By virtue of the topological magnetoelectric effect (TMEE) experienced by…
To unlock the potential for assembling complex colloidal "molecules", we investigate a minimal binary system of programmable colloidal atom-electron equivalents (PAE-EE), where electron equivalents (EEs) are multivalent linkers with two…
A collection of trapped atomic ions represents one of the most attractive platforms for the quantum simulation of interacting spin networks and quantum magnetism. Spin-dependent optical dipole forces applied to an ion crystal create…
Organic semiconductors tend to self-assemble into highly ordered and oriented morphologies with anisotropic optical properties. Studying these optical anisotropies provides insight into processing-dependent structural properties and informs…
Leveraging our structure-adaptive topology optimization framework based on the integration of the photonic density of states over a frequency window for the TM polarization of light [see A. Bahulikar et al., arXiv:2411.09165 (2025)], we…
Coulomb interactions that occur in electronic structure calculations are correlated by allowing basis function components of the interacting densities to polarize, thereby reducing the magnitude of the interaction. Exchange integrals of…
First-principles density functional theory calculations were carried out to determine the low energy geometries of anatase TiO$_2$(001) with Pt implants in the sublayers as substitutional and interstitial impurities as well as on the…
Realizing systems that support robust, controlled interactions between individual photons is an exciting frontier of nonlinear optics. To this end, one approach that has emerged recently is to leverage atomic interactions to create strong…
Combining a precise sputter etching method with subsequent AlO$_x$ growth within an atomic layer deposition chamber enables fabrication of atomically flat lateral patterns of SiO$_2$ and AlO$_x$. The transfer of MoSe$_2$ monolayers onto…
Designing molecular organic semiconductors with distinct frontier orbitals is key for the development of devices with desirable properties. Generating defined organic nanostructures with atomic precision can be accomplished by on-surface…
Structured light beams with space-variant polarization can be efficiently generated using voltage-tunable nematic liquid-crystal (Q-plate). By appropriately selecting the input state and the retardation of the Q-plate, an optical field…