Materials Science
We report momentum-resolved measurements of exciton dispersion in multilayer CrSBr using defocus-engineered electron energy-loss spectroscopy, supported by first-principles calculations. A pronounced in-plane anisotropy is observed, with…
Alloys of AlN have rapidly emerged as a material platform for nonlinear optics. In this paper, we measure the second-order optical nonlinearity of AlScN films grown directly on nitrided c-plane sapphire by molecular beam epitaxy. This…
Fractional quantum multiferroics, arising from the coupling between fractional quantum ferroelectricity (FQFE) and altermagnetism (AM), provide a promising platform for nonvolatile control of momentum dependent spin splitting in systems…
Two-dimensional multiferroic materials, which combine magnetic and ferroelectric (FE) orders with strong magnetoelectric coupling, represent ideal platforms for high-density information storage and low-power multistate electronics. However,…
Altermagnets combine compensated collinear magnetic order with momentum-dependent spin splitting, offering a promising platform for coupling spin and valley degrees of freedom with ferroelectricity and Berry-curvature driven transport in…
Harnessing Rashba spin-orbit interaction and related spintronic functionalities has traditionally relied on metallic surfaces or interfaces containing elemental heavy metals. Here, using first-principles calculations and Cu(001)/WO$_3$(001)…
We present WEST, an open-source plane-wave pseudopotential code for large-scale excited-state materials simulations, and describe its theoretical foundations, software architecture, and capabilities. WEST implements full-frequency GW,…
Large 2D diffraction datasets, consisting of hundreds or thousands of measurements, are commonly acquired with 4D-STEM electron diffraction or at synchrotron X-ray beamlines. Machine learning and artificial intelligence offer great promise…
Equilateral triangular lattice magnets provide a versatile materials platform for exploring exotic quantum spin phenomena, while their field-tunable magnetic entropy offers opportunities for low-temperature adiabatic demagnetization…
Chemical short-range order (CSRO) is an intrinsic feature of complex concentrated alloys (CCAs), yet its influence on deformation mechanisms is controversial because of the inconclusive state of concurrent CSRO quantification during…
Chemical Vapor Deposition (CVD) is a promising method for scalable synthesis of two-dimensional transitional metal dichalcogenides (TMDs) such as MoS2, but challenges in reproducibility and controllability persist due to an incomplete…
Altermagnets feature symmetry-dictated nontrivial spin splitting in electronic structure promising for next-generation spintronics, yet their ultrafast dynamical manipulation remains largely unexplored. Here, we establish…
A new approach for growing crystalline thin films is developed that takes advantage of electron beam radiolysis being a constructive force to rearrange atoms into a crystalline structure. It is demonstrated that by irradiating the surface…
We employ polarization-resolved Raman spectroscopy combined with first-principles calculations to study the sodium-ion lattice dynamics in a sodium zig-zag ordered cobaltate compound Na$_{0.5}$CoO$_2$. We detect two sodium phonon modes for…
In this work, the effect of partial substitution of Mn by Ni on the structural and electronic properties of kesterite systems Cu2NiXY4 (X = Sn, Ge, Si; Y = S, Se) was studied using density functional theory (DFT). The mBJ+U method was used…
Recrystallization in disordered solids proceeds through a sequence of local structural rearrangements that are difficult to resolve using conventional diffraction analysis. In amorphous and partially ordered materials, subtle variations in…
The practical application of BaCeO$_3$-based electrolytes is limited by their poor chemical stability in proton-conducting solid oxide fuel cells. Commonly employed B-site doping strategies typically improve proton transport with limited…
Two-dimensional van der Waals materials have enormous potential applications in many fields due to their unique layered structure and excellent properties. Compared with three-dimensional bulk materials, layered systems are coupled by weak…
The conventional characterization of topological materials relies on topological invariants calculated from the entire set of occupied bands. However, when a system possesses rotational symmetry, the occupied Hilbert space can be decomposed…
Twisting a van der Waals bilayer changes not only the moir\'e periodicity but also the local stacking and interlayer hybridization. Here, we show, using fully relaxed first-principles calculations including spin--orbit coupling, band…