Materials Science
Solid-state semiconductor lasers underpin technologies from telecommunications and data storage to sensing, medical diagnostics, and emerging quantum communication. Polaritons-hybrid exciton-photon states have further extended this reach,…
We investigated the structural evolution and optical properties of beta-Ga2O3 crystals implanted with different rare-earth (RE) ions using channeling Rutherford Backscattering Spectrometry, Positron Annihilation, Photoluminescence, and…
We introduce Flexible Cutoff Learning (FCL), a method for training machine learning interatomic potentials (MLIPs) whose cutoff radii can be adjusted after training. Unlike conventional MLIPs that fix the cutoff radius during training, FCL…
Achieving efficient ultrafast optical control of antiferromagnetic spin dynamics is a central goal for next-generation high-speed THz spintronic and magnonic devices. Resonant optical pumping of crystal-field-split d-d orbital multiplets in…
Universal machine learned interatomic potentials (uMLIPs) embody a growing area of interest due to their transferability across the periodic table, displaying an error of about 0.6 kcal/mol against the Matbench Discovery test set. However,…
Ferroelectric materials embedded with dielectric inclusions offer a unique platform for exploring novel topological polar textures. Using first-principles-based atomistic simulations, we investigate the polarization behavior of a BaTiO$_3$…
The quasi-hexagonal phase of the two-dimensional fullerene network (qHPC$_{60}$), recently synthesized, has emerged as a stable carbon-based material with distinct structural and electronic features. In this work, we employed density…
Dielectric inserts are widely used to expand the memory window (MW) in ferroelectric FETs (FeFETs) for vertical NAND applications, with prior efforts focused primarily on material selection and stack positioning. Here, we demonstrate that…
High-throughput computational screening of polymers offers a powerful way to address the imbalance between the vast number of polymers synthesised for diverse applications and the relatively small subset that can be studied using atomistic…
Anisotropic strain engineering in epitaxial oxide films provides new opportunities to control the antiferromagnetic and structural properties crucial for advancements of antiferromagnetic spintronics. Here we report on a…
Two-dimensional materials have attracted growing interest due to their unique electronic properties and potential applications in spintronics. Interfacing strongly spin-orbit-coupled chalcogenides with functional oxides such as perovskites…
Two-dimensional (2D) layered magnetic materials (LMMs) are a newly emerging class of van der Waals materials, opening new opportunities to study magneto-excitonic coupling. The air-stable, structurally and optically anisotropic A-type…
Quantum geometry appears as a key factor in understanding the optical properties of quantum materials, with the anticipation on diverging or quantized responses near the Dirac and Weyl points. Here we investigate linear and nonlinear…
Monolayers (MLs) of semiconducting transition metal dichalcogenides (\mbox{S-TMDs}) emit light very efficiently and display rich spin-valley physics, with gyromagnetic ($g$-) factors of about -4. Here, we investigate how these properties…
Self-interaction error (SIE), arising from the imperfect cancellation of the spurious classical Coulomb interaction between an electron and itself, is a persistent challenge in modern density functional approximations. This issue is…
Magnetic solitons such as skyrmions and bimerons show great promise for both fundamental research and spintronic applications. Stabilizing and controlling topological spin textures in atomically thin van der Waals (vdW) materials has gained…
Within the framework of independent particle approximation, the optical activity tensor of solids is formulated as from different contributions: the magnetic dipole, electric quadrupole, and band dispersion terms. The first two terms have…
Focused ion beam (FIB) microscopy suffers from source shot noise - random variation in the number of incident ions in any fixed dwell time - along with random variation in the number of detected secondary electrons per incident ion. This…
Direct laser writing of ferromagnetic microstructures is of great interest for sensing and data storage in compact three-dimensional architectures. However, reliable direct laser writing of metallic and even more so ferromagnetic materials…
The realization of spin based devices is one of the most aspiring goals of spintronics research. Single molecule magnets are an important class of nanoscale magnetic systems with potential to realize different spintronic devices where each…