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Lithium niobate (LiNbO$_3$, LN) is a ferroelectric crystal of interest for integrated photonics owing to its large second-order optical nonlinearity and the ability to impart periodic poling via an external electric field. However, on-chip…
Using first principles calculations, we study the ground-state structure of bulk proton-exchanged lithium niobate, which is also called hydrogen niobate and is widely used in waveguides. Thermodynamics helps to establish the most favorable…
Predicting crystal structures from chemical compositions is a fundamental challenge in materials discovery, complicated by complex 3D geometries that distinguish it from fields like protein folding. Here, we present Diffusion-based Crystal…
The Niobium surface is almost always covered by a native oxide layer which greatly influences the performance of superconducting devices. Here we investigate the highly stable Niobium oxide overlayer of Nb(110), which is characterised by…
Investigation of crystallization in an 5BDSR amorphous alloy by system Fe-Cu-Nb-Si-B under the influence of an incoherent optical radiation generated by gas discharge flash-lamp using X-ray diffraction scattering. It is shown that depending…
Clarifying the contribution of various atoms and structural units formed in nonlinear optical (NLO) crystal materials to macroscopic optical response is crucial for NLO crystal design. In this work, the rigorous atomic space tessellating…
Niobium oxide diiodide (NbOI2) is an emerging material for photonics and electronics, distinguished by its exceptional second-order nonlinearity and pronounced in-plane ferroelectricity, both originating from its highly anisotropic…
Birefringence ($\Delta n$) is the dependence of the refractive index of a material on the polarization of light travelling through it. Birefringent materials are used as polarizers, waveplates, and for novel light-matter coupling. While…
For the baseline design of the advanced Laser Interferometer Gravitational-wave Observatory (LIGO), use of optical cavities with non-spherical mirrors supporting flat-top ("mesa") beams, potentially capable of mitigating the thermal noise…
Hexagonal boron nitride (hBN) is a van der Waals semiconductor with a wide bandgap of ~ 5.96 eV. Despite the indirect bandgap characteristics of hBN, charge carriers excited by high energy electrons or photons efficiently emit luminescence…
Many applications of metasurfaces require an ability to dynamically change their properties in time domain. Electrical tuning techniques are of particular interest, since they pave a way to on-chip integration of metasurfaces with…
Brittle topologically close-packed precipitates form in many advanced alloys. Due to their complex structures little is known about their plasticity. Here, we present a strategy to understand and tailor the deformability of these complex…
Solid solutions of perovskite oxides (KNbO3)1-x+(La2NiMnO6)x (x=0, 0.1, 0.2 and 0.3) with a variation of band gap (1.33-3.6 eV) have been introduced as a promising photovoltaic absorber. The structural characterization of the prepared…
Exploration and advancements in ultra-wide bandgap (UWBG) semiconductors are pivotal for next-generation high-power electronics and deep-ultraviolet (DUV) optoelectronics. A critical challenge lies in finding a semiconductor that is highly…
A novel stable crystallographic structure is discovered in a variety of ABO3, ABF3 and A2O3 compounds (including materials of geological relevance, prototypes of multiferroics, exhibiting strong spin-orbit effects, etc...), via the use of…
Harmonic generation mechanisms are of great interest in nanoscience and nanotechnology, since they allow generating visible light by using near-infrared radiation, which is particularly suitable for its endless applications in…
Deep-ultraviolet (DUV) microscopy can provide label-free biochemical contrast by exploiting the intrinsic absorption of nucleic acids, proteins and lipids, offering chemically specific morphological information that complements structural…
Niobium telluride (NbTe$_2$), an emerging transition metal dichalcogenide material, has been theoretically predicted to have nonlinear absorption properties and excellent optical response. However, only a few studies of the utilization of…
Miniaturizing nonlinear optical components is essential for integrating advanced light manipulation into compact photonic devices, enabling scalable and cost-effective applications. While monocrystalline lithium niobate thin films advance…
The structure of single-$\Lambda$ hypernuclei is studied using the chiral hyperon-nucleon potentials derived at leading order (LO) and next-to-leading order (NLO) by the J\"{u}lich--Bonn--Munich group. Results for the separation energies of…