材料科学
Chemical short-range order (CSRO) has emerged as a critical structural feature in concentrated alloys, yet its coupling with hydrogen remains an active discussion. Here, we develop a machine-learning interatomic potential for the Co-Ni-V-H…
Electrical measurements of ferroelectric switching kinetics are widely used to probe the dynamics of polarization reversal, yet the influence of the measurement circuit is often underappreciated. In this paper, we show that the interplay…
Clathrates are a class of inclusion compounds that offer various useful and surprising phenomena, including superconductivity, thermoelectricity, and the potential for high-density ion storage. Stability conditions within the…
Two-dimensional (2D) van der Waals ferroelectrics are recognized for enabling many applications, from memory and logic to neuromorphic computing, as well as transforming other materials to control electronic phase transitions and…
LaCoO3 thin films grown under epitaxial tensile strain exhibit a robust ferromagnetic insulating state that is absent in the bulk. Despite many studies, both experimental and computational, the microscopic origin of this phenomenon is not…
We develop a sub-lattice phase-field model of Hf1-xZrxO2 incorporating zirconium (Zr) concentration (x)-dependence. Our framework expands the time-dependent Ginzburg-Landau (TDGL) equation to the sub-lattice level and incorporates…
Recyclable metal fuels such as iron are promising carbon-free energy carriers for heat and power. In such systems, particle ignition characteristics strongly affect combustion efficiency and combustor stability, making them critical for…
We examine precipitate-induced dynamic strain aging in precipitation-hardened Al-Cu alloys by combining atomistic simulations, kinetic Monte Carlo, and analytical rate theory. Atomistic simulations were used to characterize (1) the…
The functional properties of semiconductors are typically controlled by tailoring their chemical composition and their state of strain, and by controlling their long-range structural order, including the presence of extended defects such as…
In the In recent times, the research community has explored diverse structures and novel fabrication methods for amorphous solids. This work investigates structural trends among different classes of amorphous materials to identify universal…
We report an ambient-pressure Dirac electron (DE) state in a new organic conductor, $\alpha$-(BETS)$_2$AuCl$_2$ (BETS = bis(ethylenedithio)tetraselenafulvalene). This salt exhibits characteristic transport properties, including large…
The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…
The planar hexagonal phase of ZnO, known as h-ZnO, g-ZnO, {\alpha}-ZnO, the Bk structure, the 5-5 phase, the {\alpha}-BN phase, etc., has P63/mmc symmetry and is implicated in ferroelectric switching mechanisms for wurtzite-ZnO. It is…
Defects in two-dimensional (2D) semiconductors play a decisive role in determining their electronic, optical, catalytic and quantum properties. Understanding how defect energy levels respond to variations in layer thickness is essential for…
We report a combined experimental and numerical investigation of spin-wave dynamics in a hybrid magnonic crystal consisting of a CoFeB artificial spin ice (ASI) of stadium-shaped nanoelements patterned atop a continuous NiFe film, separated…
LaCrGe3 has become a playground to understand quantum critical phenomena in ferromagnetic (FM) materials. It has also garnered attention due to its peculiar two FM phases. Here, we demonstrate the presence of these phases using the Hall…
BaCd2P2 (BCP) has been recently identified as a new solar absorber with promising optoelectronic properties. This work demonstrates that, despite having a low precursor purity (98.90% to 99.95%), synthesized BCP samples exhibit a promising…
Synthetic antiferromagnets offer rich magnon energy spectra in which optical and acoustic magnon branches can hybridize. Here, we demonstrate a broken intrinsic symmetry induced coupling of acoustic and optical magnons in a synthetic…
The hydrothermal synthesis of novel materials typically relies on both knowledge of the redox activities of all cations present in the reaction solution and a small toolset of so-called mineralizers to tune the solution's overall chemical…
In recent decades, there has been a persistent pursuit of applications for surface/edge states in topological systems, driven by their dissipationless transport effects. However, there have been limited tangible breakthroughs in this field.…