Materials Science
Accurate constitutive modeling of hot deformation behavior is essential for designing thermomechanical processes in advanced structural alloys. Conventional Arrhenius-type and empirical models do not adequately capture the combined effects…
The mechanism governing the resistivity in dilute Cu-3d transition-metal alloys at ambient temperature -- the regime relevant to most practical applications and distinct from the low-temperature, Kondo-screened regime addressed by earlier…
Polar nanoregions (PNRs) are central to understanding the exceptional dielectric and piezoelectric properties of relaxor ferroelectrics and are key to advancing dielectrics for high-energy storage. However, direct real-space imaging of…
Molybdenum disulfide (MoS$_2$) is a semiconductor whose vibrational and excitonic properties are highly sensitive to layer number and structural disorder. We demonstrate the growth of MoS$_2$ monolayers on inert, electronics-compatible…
Three-dimensional (3D) iodide double-perovskite (elpasolite) semiconductors have attracted interest as potential lead-free metal-halide absorber layers for solar applications. Although studied extensively by computational methods, they have…
The experimental reconstruction of the 3D two-photon momentum density (TPMD) via angular correlation of electron-positron annihilation radiation (ACAR) is a particularly useful method for studying material Fermi surfaces. It does not rely…
Thin, flexible crystalline sheets exhibit unique elastic properties due to their ability to undergo out-of-plane deformations. Understanding this behavior requires a description that couples in-plane elasticity, out-of-plane deformation,…
Plastic deformation during strain-rate-controlled spherical nanoindentation is governed by the coupled evolution of constitutive strain-rate sensitivity and deformation length scale, making the intrinsic influence of strain rate difficult…
We present a single-orbital tight-binding model for the low-energy electronic states of the chiral one-dimensional hybrid organic-inorganic lead halide perovskite $\mathrm{(}R/S\mathrm{-PEA)PbI}_3$. The model is constructed from a single…
Altermagnetism has recently emerged as a compelling frontier in spintronics, seamlessly merging the agile tunability of ferromagnets with the hallmark merits of antiferromagnets. As a prototypical polar multiferroic featuring distinctive…
Coherent lattice dynamics can be observed in pump-probe time-resolved and angle-resolved photoemission spectroscopy (TR-ARPES) as a periodic modulation of intensity and energy of photoelectrons over probe time. We present an ab initio…
In this work, we report the discovery of a new crystal structure on the Ge-rich side of the Pr-Ge binary phase diagram. Using a high-temperature flux technique, we grew single crystals of $Pr_9Ge_{16}$, which adopt a previously unreported…
Nickel-based spinel oxide has recently attracted significant attention due to its remarkable magneto-transport properties, promising various spintronic applications. In this study, we observe an exchange bias effect, where the magnetic…
Ultra-thin La0.67Sr0.33MnO3 (LSMO) films are generally regarded as single-phase ferromagnets, yet their reduced dimensionality enhances the impact of oxygen stoichiometry and local structural distortions. Here we demonstrate that LSMO…
The paper studies martensitic microstructures in polycrystals, focussing on their compatibility across grain boundaries. After a reduction to the case of a planar grain boundary, the case when the grain boundary separates two constant…
We take account of the many-body dynamic interactions by including the wave-vector and frequency-dependent exchange and correlations (xc) kernel $f_{xc}(\qv,\omega)$ in the framework of the dielectric theory of the stopping power of…
The quantum Hall effect in gapped systems represents a defining signature of nontrivial topology. Realizing this principle in gapless matter has remained a central challenge in quantum materials. Chiral topological semimetals provide a…
We propose a simple method to employ ab-initio calculations to determine magnetic contributions to free energy of alloys. Validation on the Co-Ni binary demonstrates that this ab initio approach reproduces experimental FCC-HCP phase…
Spin-orbit coupling (SOC) underpins modern spintronics by enabling the electrical generation of spin torques. Its reciprocal counterpart, in which magnetization dynamics produce electromotive forces through a spin-dependent Berry phase, is…
Altermagnetic spintronics requires materials in which compensated magnetic order, symmetry-controlled electronic responses, and epitaxial tunability can be combined in experimentally accessible thin films. MnTe is a key material in this…