Materials Science
Single-phased La0.6Sr0.4Co1-yFeyO3-d (y = 0.2, 0.5, 0.8) nanorods exhibiting the rhombohedral perovskite-type phase were synthesized by a pore-wetting technique. We studied their chemical composition, crystal and electronic structures,…
In this work, we study the influence of the average crystallite size and dopant oxide on the reducibility of CeO2-based nanomaterials. Samples were prepared from commercial Gd2O3-, Sm2O3- and Y2O3-doped CeO2 powders by calcination at…
We have studied the irreversibility of the magnetization induced by thermal cycles in La0.5Ca0.5MnO3 manganites, which present a low temperature state characterized by the coexistence of phases. The effect is evidenced by a decrease of the…
Despite extensive research on chirality-driven spin selectivity, most studies have focused on static magnetic properties, while the influence of chirality on the dynamic magnetic response remains largely unexplored. Here, we investigate how…
Optical spin-orbit interactions (SOI) link photonic spin to momentum, offering a route toward on-chip polarization control and beam steering. Nevertheless, achieving sufficient optical SOI and nonlinearities on sub-micrometer scales - a…
Fluctuation formulas for elastic and viscoelastic moduli allow their computation from equilibrium molecular dynamics simulations, avoiding explicit nonequilibrium deformation protocols. While such expressions are well established for the…
High-pressure X-ray diffraction experiments were performed on Ti-Al-V alloys to investigate the effect of composition on structural stability, focusing on Ti-3Al-2.5V and comparing with pure Titanium and Ti-6Al-4V. Measurements using…
In light of the rise of transition metal dichalcogenides as 2D semiconductors for device applications, band engineering becomes very important from an application point of view. In many of these materials, such as the canonical example of…
The Materials Genome Initiative catalyzed the proliferation of centralized platforms--SaaS, PaaS, and IaaS--that aggregate computational and experimental resources for accelerated materials discovery. In parallel, breakthroughs in large…
This work presents a systematic study of the magnetocaloric effect in the nanostructured perovskite series $La_{0.6}Sr_{0.4}Fe_{1-x}Co_{x}O_3$ (x = 0, 0.2, 0.5, 0.8, and 1.0), synthesized by a pore-wetting method using polymeric membranes…
Dopant distribution in two-dimensional semiconductors is typically assumed to be stochastic, limiting deterministic defect engineering. Here, we show that non-equilibrium growth kinetics can be harnessed to define dopant-driven strain…
RuO$_2$ has been regarded as a prototypical candidate for metallic altermagnet, offering a potential platform for high-speed and high-efficiency spintronics. However, the magnetic ground state of RuO$_2$ remains a topic of active debate due…
Further development of nuclear power plant technology relies heavily on materials durability under operating conditions. Estimating the materials performance in the operando tests is crucial. In this paper, the mechanical behavior of thin…
Charge density wave (CDW) formation in two-dimensional materials is governed by complex competing lattice instabilities that remain incompletely understood. Here, we investigate the structural evolution of monolayer $\mathrm{1T-VSe}_{2}$…
Yttrium iron garnet (YIG) is a ferrimagnetic insulator valued for its high Curie temperature, very low magnetic damping, and ability to support long-range spin-wave transport. These qualities have established it as a cornerstone material in…
Understanding defect evolution is essential to the structural stability of quasicrystals, yet the kinetics of defect repair remain poorly understood. Here, by combining the string method and the spring pair method, we determine the minimum…
A recently developed approach, conditional probability density functional theory (CP-DFT), yields direct access to the exchange-correlation hole of a system, an important correlation function that is not available from any standard DFT…
A strategy to overcome sluggish hydrogenation/dehydrogenation of magnesium is demonstrated by creating magnesium-graphene interphase boundaries via high-pressure torsion (HPT). HPT reduces the grain size of pure magnesium from 1 mm to 850…
Unlike cubic GeSn, which requires a high Sn concentration to undergo an indirect-to-direct bandgap transition, lonsdaleite (2H) germanium is an intrinsic direct-gap semiconductor. We employ first-principles density functional theory to…
The extremely low solubility of helium in liquid metals may lead to rapid supersaturation, promoting spontaneous formation of helium bubbles by nucleation. Once nucleated, the stability of these bubbles is governed by the properties of the…