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Photoelasticity of crystals with the scheelite structure: quantum mechanical calculations.
Acta Crystallogr B Struct Sci Cryst Eng Mater
February 2025
Faculty of Electrical Engineering, Czestochowa University of Technology, 17 Al. Armii Krajowej, Częstochowa, PL-42200, Poland.
We report a complete set of elastic, piezooptic and photoelastic tensor constants of scheelite crystals CaMoO, BaMoO, BaWO and PbWO determined by density functional theory (DFT) calculations using the quantum chemical software package CRYSTAL17. The modulation parameter, i.e.
View Article and Find Full Text PDFHighly accurate real-space electron densities with neural networks.
J Chem Phys
January 2025
Microsoft Research AI for Science, 21 Station Road, Cambridge CB1 2FB, United Kingdom.
Variational ab initio methods in quantum chemistry stand out among other methods in providing direct access to the wave function. This allows, in principle, straightforward extraction of any other observable of interest, besides the energy, but, in practice, this extraction is often technically difficult and computationally impractical. Here, we consider the electron density as a central observable in quantum chemistry and introduce a novel method to obtain accurate densities from real-space many-electron wave functions by representing the density with a neural network that captures known asymptotic properties and is trained from the wave function by score matching and noise-contrastive estimation.
View Article and Find Full Text PDFEmergent p-Wave Superconductivity in a Dual Topological Insulator BiSe via Superconducting Proximity Effect.
ACS Appl Mater Interfaces
January 2025
Department of Physics, Indian Institute of Science, Bangalore 560012, India.
The quest for anisotropic superconductors has been a long-standing pursuit due to their potential applications in quantum computing. In this regard, experimentally, d-wave and anisotropic s-wave superconducting order parameters are predominantly observed, while p-wave superconductors remain largely elusive. Achieving p-wave superconductivity in topological phases is highly desirable, as it is considered suitable for creating topologically protected qubits.
View Article and Find Full Text PDFLow-threshold anisotropic polychromatic emission from monodisperse quantum dots.
Natl Sci Rev
February 2025
Institute of Nanoscience and Applications, Department of Electrical and Electronic Engineering, Southern University of Science and Technology, Shenzhen 518055, China.
Colloidal quantum dots (QDs) are solution-processable semiconductor nanocrystals with favorable optoelectronic characteristics, one of which is their multi-excitonic behavior that enables broadband polychromatic light generation and amplification from monodisperse QDs. However, the practicality of this has been limited by the difficulty in achieving spatial separation and patterning of different colors as well as the high pumping intensity required to excite the multi-excitonic states. Here, we have addressed these issues by integrating monodisperse QDs in multi-excitonic states into a specially designed cavity, in which the QDs exhibit an anisotropic polychromatic emission (APE) characteristic that allows for tuning the emission from green to red by shifting the observation direction from perpendicular to lateral.
View Article and Find Full Text PDFUltrathin, Dynamically Controllable Circularly Polarized Emission Laser Enabled by Resonant Chiral Metasurfaces.
ACS Photonics
January 2025
Foundation of Research and Technology Hellas, Institute of Electronic Structure and Laser, Heraklion 71110, Greece.
We demonstrate a simple, low-cost, and ultracompact chiral resonant metasurface design, which, by strong local coupling to a quantum gain medium (quantum emitters), allows to implement an ultrathin metasurface laser, capable of generating tunable circularly polarized coherent lasing output. According to our detailed numerical investigations, the lasing emission can be transformed from linear to circular and switch from right- to left-handed circularly polarized (CP) not only by altering the metasurface chiral response but also by changing the polarization of a linearly polarized pump wave, thus enabling dynamic lasing-polarization control. Given the increasing interest for CP laser emission, our chiral metasurface laser design proves to be a versatile yet straightforward strategy to generate a strong and tailored CP emission laser, promising great potential for future applications in both photonics and materials science.
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