材料科学
The nonlinear photoacoustic response of indium phosphide nanocrystals on silicon nanotip arrays is investigated using time-resolved optical pump-probe spectroscopy and synchrotron-based X-ray diffraction. Femtosecond laser excitation…
We investigate the distorted face-centered-cubic (dfcc) phase of yttrium (Y) using a data-assimilation-based structure search that combines high-resolution powder x-ray diffraction (XRD) data with machine-learning interatomic potentials. By…
Moisture diffusion in polymers and bio-based materials frequently exhibits non-Fickian behavior that cannot be described by classical diffusion models. The Langmuir model, which accounts for the coexistence of mobile and bound water…
Hydrogen-vacancy interactions play an important role in governing hydrogen transport and embrittlement in body-centered cubic (BCC) metals. In this study, a multiscale approach combining density functional theory (DFT) and kinetic Monte…
Altermagnets offer a route to spin-polarized electronic states without macroscopic magnetization, because compensated magnetic order can generate momentum-dependent spin splitting through crystal-symmetry-controlled exchange fields.…
Altermagnets are a recently identified class of collinear antiferromagnets that host large spin-split electronic bands, offering a promising platform for efficient spin-current generation. Among proposed candidates, the metallic oxide RuO2…
Spatial control of topology is highly desirable for realizing tunable quantum functionalities in materials. Moir\'e superlattices formed by twisting van der Waals heterostructures provide a natural platform for spatially modulated…
Reducing coating thermal noise in future gravitational-wave detectors requires identifying the atomic motifs that control mechanical loss in amorphous optical coatings. We combine grazing-incidence X-ray pair distribution function…
CaCuSi$_4$O$_{10}$ powder was studied by differential scanning calorimetry and thermogravimetry methods in the range from room temperature to 1450$\,^{\circ}$C at heating and cooling rates of 20$\,^{\circ}$C/min. The process of…
The migration of point defects and formation of spin defects in 3C-SiC were investigated using molecular dynamics simulations, with migration barriers obtained from Nudged Elastic Band (NEB) calculations and finite temperature diffusivities…
Crystallographic symmetry is usually taken as a guide to electronic equivalence in crystals: atoms on the same Wyckoff position are expected to have the same charge, whereas atoms on different Wyckoff positions are expected to be…
We report on the GPU port of the Abinit high-performance simulation code for plane-wave DFT calculations. Large-scale electronic structure calculations require computing the electronic wave function by solving the Kohn-Sham equations…
A surface antisymmetry group framework is developed to establish design rules for deterministic electrical switching of the N\'eel vector in a film of a collinear bipartite antiferromagnet. In centrosymmetric altermagnets, where…
Recent advances in physics-augmented neural networks have enabled thermodynamically consistent data-driven constitutive modeling of complex inelastic materials. Most existing approaches, however, implicitly adopt a specific thermodynamic…
High-entropy oxide (HEO) thin films uniquely superimpose exceptional chemical disorder with exceptional crystalline quality and coherence - an intersection we term anomalous crystallinity that arises from coupled structural, chemical, and…
The nonlinearity of magnetization precession and spin waves is a cornerstone of contemporary magnonics. We investigate nonlinear magnetization dynamics in a thin epitaxial iron film driven by femtosecond laser pulses in regimes of…
Phenomena concerning altermagnets have opened up a window for unconventional analysis of the momentum space spin polarization (MSSP) of antiferromagnetic materials. Taking the example of one of the widely investigated altermagnets, CrSb, we…
Electron microscopy relies on the spatial coherence of electron beams to generate atomic-scale images using interference and diffraction, which can be degraded by inelastic scattering processes that induce decoherence. Here, we present a…
To explore and quantitatively map the cation-size mismatch solubility limits in high-entropy oxides (HEOs), we report on Ca$^{2+}$ substitution in prototypical MgCoNiCuZnO, because, while isovalent, Ca$^{2+}$ is 38% larger than its…
Altermagnetism, an emergent magnetic phase featuring compensated collinear magnetic moments and momentum-dependent spin splittings, has recently garnered widespread interest. A critical issue concerns whether the unconventional spin…