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We study the dynamical properties of point-like defects, represented by monoatomic chalcogen vacancies, in WS$_2$-graphene and MoS$_2$-graphene heterobilayers. Employing a multidisciplinary approach based on the combination of ab initio,…
By stacking various two-dimensional (2D) atomic crystals [1] on top of each other, it is possible to create multilayer heterostructures and devices with designed electronic properties [2-5]. However, various adsorbates become trapped…
Van der Waals (vdW) materials, with their unique combination of electronic, optical, and magnetic properties, are emerging as promising platforms for exploring excitonic phenomena. Thus far, the choice of materials with exceptional…
Moir\'e superlattice designed in stacked van der Waals material provides a dynamic platform for hosting exotic and emergent condensed matter phenomena. However, the relevance of strong correlation effects and the large size of moir\'e unit…
The development of novel quantum bits is key to extend the scope of solid-state quantum information science and technology. Using first-principles calculations, we propose that large metal ion - vacancy complexes are promising qubit…
A non-destructive optical technique described in this paper is an effective new tool for the investigation of defects in semiconductors. The basic instrument for this technique---a mid-IR-laser microscope---being sensitive to accumulations…
Differentiating signals from the background in micrographs is a critical initial step for cryogenic electron microscopy (cryo-EM), yet it remains laborious due to low signal-to-noise ratio (SNR), the presence of contaminants and densely…
This study introduces a novel self-supervised learning approach for volumetric segmentation of defect indications captured by phased array ultrasonic testing data from Carbon Fiber Reinforced Polymers (CFRPs). By employing this…
The MIRI Si:As IBC detector arrays extend the heritage technology from the Spitzer IRAC arrays to a 1024 x 1024 pixel format. We provide a short discussion of the principles of operation, design, and performance of the individual MIRI…
Defect engineering offers an important route to property tuning of nanostructured coatings for advanced applications. Transition metal nitrides, such as CrN, are widely used for their mechanical resilience, but their nitrogen-rich analogue…
Stacking of two-dimensional (2D) materials has emerged as a facile strategy for realising exotic quantum states of matter and engineering electronic properties. Yet, developments beyond the proof-of-principle level are impeded by the vast…
We present a new variational model for computing the electronic first-order density matrix of a crystalline material in presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the…
We propose an improved structure of an optical biosensor based on a photonic crystal (PC) with a defect layer (DL), which can detect the concentration of SARS-CoV-2 in water by defect mode (DM) shift. We investigated 4 types of defective…
Quantum sensing of meV-scale scattering and absorption of impinging particles with electrons in solid state detectors is a challenging technological advancement with the potential to enable breakthroughs in quantum information applications…
Due to their unique two-dimensional nature, charge carriers in semiconducting transition metal dichalcogenides (TMDs) exhibit strong unscreened Coulomb interactions and sensitivity to defects and impurities. The versatility of van der Waals…
The high-throughput screening of periodic inorganic solids using machine learning methods requires atomic positions to encode structural and compositional details into appropriate material descriptors. These atomic positions are not…
Interacting defect systems are ubiquitous in materials under realistic scenarios, yet gaining an atomic-level understanding of these systems from a computational perspective is challenging - it often demands substantial resources due to the…
The prediction of upcoming events in industrial processes has been a long-standing research goal since it enables optimization of manufacturing parameters, planning of equipment maintenance and more importantly prediction and eventually…
Flat-band bound states in the continuum (BICs) are topological states with suppressed group velocity and robustness against radiation loss, offering a powerful platform for the exploration of non-Hermitian, nonlinear, topological phenomena…
Crystalline materials, with symmetrical and periodic structures, exhibit a wide spectrum of properties and have been widely used in numerous applications across electronics, energy, and beyond. For crystalline materials discovery,…