Materials Science
Ferroelectric charged domain walls are known for their high electrical conductivity, making them promising candidates for applications in modern electronics. A remarkably high conductivity and nominal charge density has been found in the…
Oxide electronics provide the key concepts and materials for enhancing silicon-based semiconductor technologies with novel functionalities. However, a basic but key property of semiconductor devices still needs to be unveiled in its oxidic…
Powder diffraction is a primary structural characterization tool in materials science, yet automated phase identification remains a major bottleneck for autonomous discovery. Existing workflows rely heavily on search--match heuristics and…
Condensed matter physics increasingly focuses on exploiting the magnetic order parameter orientation n as a tuning knob for properties of collinear magnetic materials, but a general method for constructing effective Hamiltonians with…
Hard-x-ray C 1s photoemission from monolayer graphene probes a regime in which nuclear recoil and intrinsic electronic asymmetry contribute on comparable energy scales to the observed spectral line shape. Here we combine experiment and…
Magnetic Janus particles enable remote actuation in biomedical, microfluidic, and materials applications. While curvature-driven magnetic effects are well known at the nanoscale, their influence on magnetization reversal in micrometer-sized…
Motivated by the technological relevance of S-doped few-layer graphene (FLG) in battery applications and in the oxygen reduction reaction, we systematically explore the effect of basal plane S-doping on the electronic properties of mono-,…
Grain-boundary (GB) dynamics control the stability, mechanical, and functional response of nanocrystalline materials, but direct experimental access to their slow non-equilibrium motion has been limited. Here we establish X-ray photon…
The liquid crystalline 4-pentylphenyl-4'-decyloxythiobenzoate is investigated in various temperature programs for determination of crystallization kinetics and glassforming properties. The Avrami model, Augis-Bennett method and…
The two-dimensional electron gas (2DEG) in reduced strontium titanate offers a versatile platform for oxide electronics, yet its dissipation mechanisms under field driven charge fluctuations remain poorly understood. Here, we combine…
Materials designed by nature commonly exhibit functional grading and laminated structures, particularly when intended for enhanced impact protection. Synthetic materials have also found success in exploiting this concept with fully dense…
Developing high-performance cathode materials for magnesium-ion batteries (MIBs) remains challenging because Mg$^{2+}$ ions move slowly, and conventional materials exhibit low voltage outputs. In this study, machine learning and…
The formation and electronic properties of nitrogen-related defect complexes in $\beta-Ga_2O_3$ are investigated using first-principles calculations. Starting from the energetically favorable $N_{i9}-N_{OI}$ configuration, nitrogen atoms…
Alnico magnets have gained renewed interest in the search for rare-earth free permanent magnets due to their high thermal stability and magnetisation. However, the limited coercivity of these shape-anisotropy-based alloys constrains their…
We report universal behavior of the differential magnetic susceptibility (DMS) in the conical phase that mediates the spin-reorientation (SR) transition of the kagome ferromagnet Fe$_3$Sn$_2$. Within the SR temperature range, the DMS…
Achieving a balance between low density, high strength, and good ductility remains a major challenge in the development of structural materials. Ti-based bulk metallic glasses (BMGs) have attracted considerable attention due to their…
Electrides are materials with electrons localized at interstitial regions of the crystal lattice and have been identified as promising candidates for a variety of applications, including catalysis, electron emission, and superconductivity.…
The appearance of generative models has opened vast chemical spaces in the design of functional materials. Although machine learning interatomic potentials (MLIPs) have substantially accelerated phonon calculations, high-fidelity prediction…
The $GW$ method delivers substantially improved accuracy in electronic band structure calculations over conventional Kohn-Sham density functional theory (KS-DFT) by explicitly incorporating the electron self-energy effect beyond mean-field…
Graphene lacks an intrinsic band-gap, which limits its use in electronic applications. Here we demonstrate that periodic arrays of topological defects can open and control a band-gap in a predictable manner governed by defect spacing and…