Materials Literature
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Whether a quantum system with a double-well effective potential undergoes spontaneous symmetry breaking depends not only on the potential landscape but also on the kinetics and the coupling with additional degrees of freedom. Here we introduce a quasi-exactly solvable model to study this problem in the context of ferr…
We present a unified theoretical framework for spin- and angle-resolved photoemission spectroscopy (SARPES) and its inverse process (SARIPES), treating both on an equal footing. The formulation is based on a response tensor that encodes the reciprocity between the two processes. We show that polarization tomography wi…
$α$-MnO$_2$ is an emerging material for electronic, optoelectronic, and energy applications, owing to its structural flexibility and defect-driven functionality. During synthesis of $α$-MnO$_2$, native oxygen vacancies readily form and are typically compensated by foreign dopants. A thorough understanding of intrinsic…
Atomic-scale corrugation in two-dimensional materials can modify interfacial electronic coupling, yet its influence on ultrafast carrier relaxation remains poorly established. Here, we compare image potential states (IPS) at monolayer h-BN/Ir(111) and h-BN/Pt(111) interfaces using structural characterization and time-…
Altermagnets (AMs) combine fully compensated magnetization with momentum-dependent spin splitting, yet intrinsic altermagnetic materials exhibiting exceptional valley characteristics remain scarce. Here, we identify monolayer titanium-based chalcogenide halides, Ti$_2X_2Y$ ($X$ = F, Cl, Br, I; $Y$ = O, S, Se, Te), as…
The elastic modulus of porous materials is commonly described using power-law scaling relations with relative density, where the scaling exponent is often interpreted in terms of the underlying deformation mechanism. However, in highly disordered porous networks, changes in density are generally accompanied by changes…
The unexpectedly small ordered moments of CeNiAsO, a candidate for correlated $p$-wave magnet, have posed a serious challenge to the precise determination of its magnetic structure, hindering the understanding of its fundamental properties. By leveraging the high sensitivity to local internal fields, our $^{75}$As nuc…
Lipid-coated microscale hydrogels provide confined, hydrated environments in which polymer phase behavior can differ markedly from that in bulk. Here, we investigate the crystallization pathway of poly(ethylene glycol) (PEG) encapsulated in lipid-coated agarose microgels. Surprisingly, polarized-light microscopy revea…
Heterogeneous interfaces underpin technologies from microelectronics to energy conversion and storage, but their configurational complexity precludes exhaustive first-principles screening of interface registries. Although data-driven approaches can alleviate this burden, they remain limited by sparse interface dataset…
III-V semiconductor nanowires (NWs) are a promising platform for optoelectronic and photoelectrochemical applications, where device performance strongly depends on NW density and spatial arrangement. While ordered arrays provide precise control, their fabrication requires complex and costly lithographic techniques. Un…
Open-porous materials exhibit pronounced compressibility, nonlinear densification, and power-law scaling of stiffness with density. In this work, we propose a thermodynamically consistent compressible neo-Hookean constitutive model for open-porous solids in which porosity serves as the primary governing variable. The…
Magnetoelectric (ME) phenomena in emerging material classes, such as two-dimensional van der Waals (vdW) magnets and Single-Molecule Magnets (SMMs), hold immense promise for next-generation cryogenic memory and quantum technologies. However, ME coupling in these systems predominantly manifests at low temperatures, mak…
In magnetic alloys or hybrid systems formed by molecular magnets coupled to a magnetic substrate, the exchange interaction leads to fast spin dynamics after excitation. We investigate the electronic charge and spin dynamics due to the exchange interaction in a two-sublattice system with antiferromagnetic coupling. We…
The interplay between altermagnetism and crystalline band topology provides an intriguing avenue for realizing unconventional topological phases with distinctive spin-dependent properties. Here, based on first-principles calculations and theoretical analysis, we identify monolayer $\mathrm{Tc}_2X_2\mathrm{O}$ ($X$ = C…
Functionalities of ferroelectric materials are governed by the spatial organization and coupling of polarization, strain, lattice rotation, and structural order accessible via atomically resolved scanning transmission electron microscopy (STEM) images. Quantitative interpretation of atomic-resolution STEM data has con…
Ensemble nitrogen-vacancy (NV) centers in diamond enable robust vector magnetometry in unshielded environments, yet deployment remains bottlenecked by complex calibration and a reliance on external data references. Conventional statistical machine learning requires an exorbitantly large volume of training data and suf…
We present an oscillator-driven femtosecond transient microspectroscopy system based on supercontinuum generation in a photonic crystal fiber (PCF). The system operates at 80 MHz without pulse amplification, enabling high-sensitivity measurements with a detection sensitivity better than $10^{-4}$ while using low pulse…
No interatomic potential has offered universality across chemistry, near-first-principles accuracy and the speed of empirical potentials at once. Here we introduce DPA4C, an equivariant potential whose architecture and compressed CUDA operators are co-designed under deployment constraints to pursue accuracy and effici…
Lithium niobate and lithium tantalate see widespread use in optics and electronics, and are increasingly used for cryogenic applications. Despite their broad deployment, their optical band gap and its relation to the crystal stoichiometry are not well characterised as a function of temperature. In this work, we study…
How a polaron loses its quasiparticle coherence with increasing temperature is a long-standing open problem. Holstein addressed it in 1959 only in the extreme antiadiabatic, strong-coupling limit, while more recent numerically exact approaches are largely restricted to one dimension. Here we solve this problem on squa…