Materials Literature
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Resistive switching (RS) in Nb-doped SrTiO$_3$ (Nb:STO) based memristive devices has attracted sustained interest in information processing and novel computing because of its forming-free operation, large on/off ratio, and gradual conductance modulation. Metal/Nb:STO Schottky junctions have emerged as a prototypical s…
We present a method to calculate spin-phonon coupling parameters from first-principles perturbation theory by downfolding the electron-phonon coupling (EPC). We exploit the localized nature of magnetic moments and atomic displacements by working in the Wannier representation of the electronic Hamiltonian and the EPC m…
The prospect of using altermagnets as switchable sources of perpendicularly polarized spin currents has intensified the search for candidate materials, yet metallic d-wave systems with sizable spin-splitter responses remain scarce. Here, we identify an empirical magnetic motif that supports metallic d-wave altermagnet…
Ising superconductors exhibit in-plane upper critical fields far exceeding the Pauli paramagnetic limit, a hallmark first established in two-dimensional (2D) monolayer transition-metal dichalcogenides (TMDs). This field resilience requires the coexistence of strong spin-orbit coupling (SOC) and broken inversion symmet…
Understanding how Kikuchi patterns behave with subtle material variations is essential for developing machine learning (ML) based indexing methods for structurally and chemically complex cases, such as phases with potential sub-lattice order or (meta)stable defects with segregation (defect phases). Simulated Kikuchi p…
Quantum confinement in stoichiometric $\mathrm{Cd}_n\mathrm{Se}_n$ nanoclusters dramatically attenuates electronic screening, driving a delicate, size-dependent competition between quasiparticle self-energy corrections ($Δ_{\mathrm{QP}}$) and exciton binding energies ($E_b$). Here, we present a $GW$/BSE study across a…
What a guided beam carries after passing through an all-optically switched magnetic film has not been computed, although such switching has been demonstrated on a silicon nitride waveguide with electrical readout. We close the chain for an integrated Si$_3$N$_4$/GdFeCo element, an 8 nm film on a 60 $μ$m waveguide, cou…
Single-pulse laser ablation thresholds of selected equiatomic Cantor-Wu alloys - FeNi, CoNi, CrFeNi, CrCoNi, and CrMnFeCoNi - are measured for femtosecond and nanosecond pulse durations and interpreted through first-principles calculations of the electronic structure, the electron-phonon coupling, and the electronic t…
The enthesis is a graded fibrocartilaginous interface that transfers load between tendon and bone, yet the nanoscale mechanisms stabilizing its mineralization front remain unclear. Here, we combine multimodal 2D/3D X-ray imaging with nonlinear optical microscopy to map structural, crystalline and extracellular matrix…
Based on a many-body formulation, we derive an electron-phonon coupling including excitonic effects that preserves thermodynamic detailed balance between electronic and phononic scattering processes. We start from the microscopic electron-nucleus Hamiltonian, expand around the Born-Oppenheimer equilibrium geometry, an…
Data-driven approaches to materials discovery rely on numerical representations of atomic structures as input for machine learning models. Inverting these descriptors - recovering atomic structures from their representations - is essential for most generative material design pipelines, yet it remains challenging, part…
The energy transfer rate from a projectile nucleus to the electrons of the matter it traverses depends on the charge of that projectile, Q= e Z1. At low projectile velocities the friction coefficient is known to oscillate with atomic number Z1, since core electrons travel with the projectile screening its charge. The…
Modulating electron-phonon coupling offers a route to control structural displacements and tune material functionality. Valence-to-conduction band transitions, however, provide limited leverage over the driving force. Here, we demonstrate coherent lattice dynamics in trigonal tellurium using free-electron laser pulses…
The dielectric and electric conduction properties of BaTiO3 samples fabricated by the spark plasma sintering with additional contamination by different content of carbon have been investigated in the temperature range from 77 through 408 K in small non-heating electric fields and in the range of 77 - 200K under strong…
The magnetic properties of monoclinic TbFe$_{2}$D$_{4.2}$ have been investigated by combining different magnetic measurements, including those involving a high pulsed magnetic field, with neutron diffraction experiments versus temperature and applied field. TbFe$_{2}$D$_{4.2}$ displays a ferrimagnetic ground state wit…
Fiber diffraction is one of the few experimental techniques capable of resolving molecular structure in partially ordered, non-crystalline systems such as fibrous proteins, biopolymers, and synthetic polymers. Because fiber diffraction patterns are complex, exhibiting paracrystalline order, packing defects, and broad,…
Centrosymmetric 1T-MX$_2$ monolayers(MLs) have attracted considerable attention owing to their intriguing transport properties and potential technological applications arising from the interplay among quantum geometry, electronic band structure, and band-gap characteristics. Despite this rich physics, a comprehensive…
Structured light in space and time has become a powerful playground in which to explore the fundamental physics of wave systems, while simultaneously introducing new exotic forms of light, from spatio-temporal vortices to toroidal pulses of light. Yet their creation remains restricted by complex optical systems while…
Polarization reversal in ferroelectrics arises from the coupled processes of domain nucleation and subsequent growth, yet the governing mechanisms differ fundamentally between classical perovskite oxides and emerging wurtzite ferroelectrics. While switching in perovskites is typically governed by mobile domain walls w…
Spintronics and orbitronics rely on current-induced accumulations of magnetic dipoles: spin and orbital angular momentum. However, electronic orbitals inherently carry multipoles beyond the dipole, with the rank-2 orbital quadrupole as the leading term. Here we use polarization-resolved Kerr microscopy to observe curr…