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Heterostructures of PbTiO$_3$/SrTiO$_3$ superlattices have shown the formation of "polar vortices", in which a continuous rotation of ferroelectric polarization spontaneously forms. Recently, Shafer {\it{et al.}} [Proc.\ Natl.\ Acad.\ Sci.\…
Using density functional methods we calculated structural and electronic properties of bulk chloroform and bromoform intercalated C60, C60 2CHX3 (X=Cl,Br). Both compounds are narrow band insulator materials with a gap between valence and…
Lead halide perovskites have emerged as promising materials for optoelectronic applications due to their exceptional properties. In the all-inorganic CsPbBr3 perovskites, ferroelastic domains formed during phase transitions enhance bulk…
We study the resonance behaviour of the forbidden 600 and 222 x-ray Bragg peaks in Ge using LDA band structure methods. These Bragg peaks remain forbidden in the resonant dipole scattering approximation even taking into account the non…
Study of the local optical properties using electron beam (e-beam) can provide a valuable information concerning the inspection of the materials quality, the presence of the different phase inclusions and defects. Halide perovskites have…
Halide perovskite has attracted intense research interest owing to its multifaceted and versatile applications in optoelectronics. This intrigue is further fueled by their propensity to undergo intricate structural modifications under…
Methylammonium-lead-halide compounds have emerged as promising bandgap engineering materials due to their ability to fine-tune the energy gap through halogen element mixing. We present a comprehensive investigation of the…
Spin-orbit coupling (SOC), the core of numerous condensed-matter phenomena such as nontrivial band gap, magnetocrystalline anisotropy, etc, is generally considered to be appreciable only in heavy elements, detrimental to the synthetization…
A Bragg resonator uses dielectric plates within a metallic cavity to confine the energy within a central free space region. The importance of the permittivity is shown with a better Q-factor possible using higher permittivity materials of…
We have investigated the structural, mechanical, electronic and optical properties of Rb-based cubic perovskite RbBaX$_3$ (X = F, Cl, Br, I) under hydrostatic pressure, using first-principle density functional theory (DFT). All RbBaX$_3$…
To overcome the limitations of graphene due to lack of intrinsic band gap, it is generally functionalized with hydrogen or halogen atoms such as fluorine and chlorine. Generally, such functionalization yields a moderate- to high-band-gap…
Inorganic metal-halide cubic perovskite semiconductors have become more popular in industrial applications of photovoltaic and optoelectronic devices. Among various perovskites, lead-free materials are currently most explored due to their…
We propose a novel mechanism for designing quantum hyperbolic metamaterials with use of semi-conductor Bragg mirrors containing periodically arrangedquantum wells. The hyperbolic dispersion of exciton-polariton modes is realized near the…
Four crystal classes are optically active yet not chiral (non-enantiomorphic). Corresponding Bragg diffraction patterns calculated for circularly polarized (helical) x-rays tuned to an atomic resonance prove that angular anisotropy in the…
Double perovskite halides are emerging as promising materials for a wide range of applications, particularly in renewable energy technologies such as solar cell devices, thereby contributing to addressing global energy demands. In this…
Organometallic lead halide perovskites are highly efficient materials for solar cells and other optoelectronic applications due to their high quantum efficiency and exceptional semiconducting properties. A peculiarity of these perovskites…
The boundary-value problem of the reflection and transmission of a plane wave due to a slab of an electro-optic structurally chiral material (SCM) is formulated in terms of a 4x4 matrix ordinary differential equation. The SCM slab can be…
Nonlinear optical propagation in cholesteric liquid crystals (CLC) with a spatially periodic helical molecular structure is studied experimentally and modeled numerically. This periodic structure can be seen as a Bragg grating with a…
Molecular and polymeric crystals show a wide range of functional properties that arise from the interplay between the atomic-scale structure of their constituent molecules and the organization of these molecules within the crystal lattice…
Halide perovskites are a promising class of materials for optoelectronic and photovoltaic applications, exhibiting high power conversion efficiency due to strong light absorption and long carrier diffusion lengths. While various aspects of…