Scientific Resource Catalog
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Manganese telluride (MnTe) in its hexagonal α-MnTe crystal structure has evolved as one of the altermagnet workhorse materials. The synthesis of MnTe thin films is highly relevant for both fundamental science and device applications. Here, we report on the epitaxial growth of MnTe thin films and he…
The integration of machine learning (ML) into materials science offers a transformative pathway toward fully autonomous synthesis workflows. For precise thin-film deposition techniques like molecular beam epitaxy (MBE), this automation is critical to overcome the time-consuming, manual navigation o…
Erbium ions (Er$^{3+}$) in cerium dioxide (CeO$_2$) represent a promising spin-photon interface for quantum communication, but the mechanisms limiting their optical coherence remain poorly understood. Using periodic hybrid density functional theory calculations with finite-size corrections, we iden…
We demonstrate that Mn$_3$Sn hosts finite intra-atomic magnetic octupoles (AMOs) $\mathbf{o}$ in addition to the well-established cluster magnetic octupole (CMO) $\mathbf{O}$. In contrast to the cluster-scale CMO, the AMO is a site-localized magnetic multipole associated with the anisotropic intra-…
Antimony sulfide (Sb$_2$S$_3$) is a semiconductor composed of quasi-one-dimensional ribbon-like structural units, which give rise to pronounced structural anisotropy in the bulk crystal. Despite growing interest in Sb$_2$S$_3$, in particular Sb$_2$S$_3$ thin films, a detailed understanding of its s…
Magnetic components in high-frequency, high-power-density converters are increasingly driven by non-sinusoidal flux-density waveforms with fast transitions, minor-loop operation, dc bias, and temperature variation. Under these conditions, steady-state core-loss formulas and single-valued material c…
Large twist angles in twisted bilayer graphene are widely expected to be electronically trivial, with negligible interlayer coupling and no electronic reconstruction, in contrast to the rich moiré-driven band reconstruction and correlated physics that emerge at small twist angles. Here, we show tha…
The discovery of high critical-temperature $T_{\mathrm{c}}$ superconductivity near 80 K in bilayer nickelates under high pressure has sparked extensive studies. While superconductivity exceeding 40 K was subsequently discovered at ambient pressure in compressively strained films, the relationship b…
The exploration of topological fermions and bosons marks a new chapter in condensed matter physics, unveiling rich and unconventional phenomena. Particularly in quantum field theory, exotic quasiparticle excitations such as Dirac and Weyl fermions can serve as direct analogs, and their recent exper…
Hard carbons are established anodes for lithium-ion batteries and leading candidates for sodium-ion batteries, yet their electrochemical performance is governed by a heterogeneous network of graphitic domains, defects, and nanopores that conventional atomistic methods cannot model at the required l…
Two-dimensional transition-metal dichalcogenide alloys are potential candidates for advanced optoelectronic and neuromorphic applications due to their strong light-matter interactions and controllable defect properties. However, large-area growth of such alloys remains challenging, while the correl…
Scientific discovery often begins where observation and prediction disagree. As computation and machine learning survey chemical space, experiment-simulation mismatches are exposed at scale, while tracing them to physical mechanisms remains expert-led. Here we present eXplainable DFT (XDFT), a self…
AMDAT (Amorphous Molecular Dynamics Analysis Toolkit) is an open-source C++ toolkit for post-processing molecular dynamics trajectories, focused on high-performance static and dynamic analyses of amorphous, glassy, and polymer materials, including supercooled liquids and complex fluids. In this pap…
Oxygen vacancies are critical for determining the electrochemical performance of fast oxygen ion conductors. The perovskite La 0.5 Sr 0.5 CoO 3 , known for its excellent mixed ionic-electronic conduction, has attracted significant attention due to its favorable vacancy characteristics. In this stud…
Cemented WC–Co carbides are widely used in mining cutting tools due to their high hardness and abrasion resistance. In this study, five industrial carbide grades (G10, B2, B45, B65, and B23G) were investigated under abrasive wear conditions using a corundum-based medium simulating rock-cutting envi…
The edge-localized mode (ELM) frequency ($f_{\mathrm{ELM}}$) was successfully controlled in real time on KSTAR using a proportional-integral (PI) feedback controller, employing a $\mathrm{D}_2$ divertor gas puff as the actuator under tungsten lower-divertor conditions. The controller accurately tra…
The reaction of the Schiff base ligand N -[(2-hydroxynaphthalen-1-yl)methylidene]alanine, H 2 L , with dichlorodiorganosilicon compounds, Cl 2 Si R 2 , yields silicon complexes L Si R 2 . The crystal structure analyses of ( RS )-dimethyl{ N -[(2-oxidonaphthalen-1-yl)methylidene]alaninato}silicon, C…
Machine-learning venues now receive an order of magnitude more submissions than a decade ago. This study asks a different question from the usual one about volume: has the amount of VERIFICATION EVIDENCE behind each submission changed, and does any change depend on how expensive verification is in…
The Selective Catalytic Reduction System (SCR) system uses aqueous NH3 and catalyst for reducing the NOx emission emitted by the Compression Ignition (CI) engine exhaust. Due to stringent emission regulations and growing demand for SCR systems, significant improvements in its urea injection strateg…
V diplomskem delu je bila preučena kontinuirna adsorpcija metilenskega modrega (MB) na kalcijev alginat/grafen oksid (Ca-Alg/GO) hidrogelnih kroglicah v koloni z nasutim slojem. Izvedenih je bilo šest meritev s sistematično variacijo pretoka (Q = 1, 3 in 5 mL/min), začetne koncentracije MB (C0 = 2,…