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In this study, we evaluate the predictive power of density functional theory (DFT) for the magnetic properties of MnBi\(_2\)Te\(_4\) (MBT), an intrinsically magnetic topological insulator with potential applications in spintronics and…
Neutron diffraction, magnetization and muon spin relaxation measurements, supplemented by density functional theory (DFT) calculations are employed to unravel temperature-driven magnetization reversal (MR) in inverse spinel Co$_2$VO$_4$.…
Deformable Mirrors (DMs) have wide applications ranging from astronomical imaging to laser communications and vision science. However, they often require bulky multi-channel cables for delivering high power to their drive actuators. A low…
The Multiparticle Models of Multilayered Materials (models M4) are developed to analyze easily the 3D stress fields which produce delamination or transverse crackings in laminates. The M4 models are built from 3D approximate stress fields…
Due to various physical degradation factors and limited counts received, PET image quality needs further improvements. The denoising diffusion probabilistic models (DDPM) are distribution learning-based models, which try to transform a…
The search for the primordial B-modes of the cosmic microwave background (CMB) relies on the separation from the brighter foreground dust signal. In this context, the characterisation of the spectral energy distribution (SED) of thermal…
Traditional physically-based material models rely on analytically derived bidirectional reflectance distribution functions (BRDFs), typically by considering statistics of micro-primitives such as facets, flakes, or spheres, sometimes…
Low dimensional structures comprised of ferroelectric (FE) PbTiO$_3$ (PTO) and quantum paraelectric SrTiO$_3$ (STO) are hosts to complex polarization textures such as polar waves, flux-closure domains and polar skyrmion phases. Density…
Approximate density functional theory (DFT) suffers from many-electron self- interaction error, otherwise known as delocalization error, that may be diagnosed and then corrected through elimination of the deviation from exact piecewise…
Monolayer MnBi$_{2}$Te$_{4}$ (MBT) is an intrinsically magnetic topological insulator whose magnetic response is strongly affected by strain and electron correlation. In density functional theory with an on-site Hubbard correction…
This paper studies DFT models for homogeneous 2D materials in 3D space, under a constant perpendicular magnetic field. We show how to reduce the three--dimensional energy functional to a one--dimensional one, similarly as in our previous…
Four-dimensional scanning transmission electron microscopy (4D-STEM) provides rich, atomic-scale insights into materials structures. However, extracting specific physical properties - such as polarization directions essential for…
Efficient and accurate measurement of the bi-directional reflectance distribution function (BRDF) plays a key role in high quality image rendering and physically accurate sensor simulation. However, obtaining the reflectance properties of a…
Accurate and fast 3D imaging of specular surfaces still poses major challenges for state-of-the-art optical measurement principles. Frequently used methods, such as phase-measuring deflectometry (PMD) or shape-from-polarization (SfP), rely…
Thermoreflectance techniques, including time-domain thermoreflectance (TDTR), frequency-domain thermoreflectance (FDTR), and the square-pulsed source (SPS) method, are powerful tools for characterizing the thermal properties of bulk and…
Raman spectroscopy is a powerful and nondestructive method that is widely used to study the vibrational properties of solids or molecules. Simulations of finite-temperature Raman spectra rely on obtaining polarizabilities along molecular…
We report the development of a hybrid numerical / analytical model capable of mapping the spatially-varying distributions of the local ferromagnetic resonance (FMR) frequency and dynamic magnetic susceptibility in a wide class of patterned…
Lidar has become a cornerstone sensing modality for 3D vision, especially for large outdoor scenarios and autonomous driving. Conventional lidar sensors are capable of providing centimeter-accurate distance information by emitting laser…
The development of photonic integrated circuits would benefit from a wider selection of materials that can strongly-control near-infrared (NIR) light. Transition metal dichalcogenides (TMDs) have been explored extensively for visible…
The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of Density Functional Theory (DFT). However, running large simulation cells with DFT is…