材料科学
Ferroelectric switching governs the functional properties of ferroelectric perovskites. It is widely accepted that this switching depends on domain nucleation and pinning and that these processes can be controlled by the defect structure.…
Molybdenum disulfide (MoS$_2$), a layered van der Waals material, has attracted considerable attention as a promising alternative to graphene for applications in field-effect transistors and nanophotonic devices because of its sizable band…
We study electronic properties of the ternary tellurides TaXTe$_4$ (X=Rh, Ir) using density functional theory and investigate chiral anomaly mediated planar Hall response from ab initio calculations. We show that TaRhTe$_4$ is a hybrid Weyl…
The search for kagome magnets with unconventional magnetic and electronic properties has gained significant attention in recent years. We report the magnetic, electronic, and thermoelectric properties of Fe3Ge single crystals, where the Fe…
Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…
Muonium (Mu), a bound state of a positively charged muon and an electron, can diffuse through crystal lattices and interact with defect centers in insulators and semiconductors. We demonstrate that this Mu's diffusive property can be used…
Accurate interatomic potentials (IAPs) are essential for modeling the potential energy surfaces (PES) that govern atomic interactions in materials. However, most existing IAPs are developed for bulk materials and often struggle to…
This study presents a 3D version of multiscale approach for investigating magnetization dynamics in multiscale, hybrid micromagnetic-atomistic simulations. The present work introduces engineered discontinuities (i) a double-slit structure,…
Kirchhoff's kinetic analogy relates the equilibrium solutions of an elastic rod or strip to the motion of a spinning top. In this analogy, time is replaced by the arc length parameter in the phase portrait to determine the equilibrium…
Comparison of the measured spectral emission properties of single-crystal Cu(001) and W(111) photocathodes to established photoemission theories reveal evidence for an additional one photon emission process predominantly affecting electron…
We report the temperature-dependent synchrotron based X-ray diffraction analysis of NASICON type Na$_3$FeCr(PO$_4$)$_3$ sample, which undergoes a symmetry-lowering structural transition from a monoclinic ($C2/c$) phase with long-range…
All-optical generation of pure spin current -- the flow of spin in the absence of a corresponding charge flow -- relies on a symmetry based compensation of valley charge. The 2d $d$-wave altermagnets, ideal spintronics materials due to a…
The magnetic field from a uniformly magnetised, rectangular prism is known exactly, which is the basis for a large number of micromagnetic simulations. Here we derive an analytical solution for the field from a periodically repeating…
2D ferromagnets offer valuable insights into the fundamentals of magnetism and stimulate the progress of ultracompact spintronics. The demand for seamless integration of the materials with the Si technology, particularly helpful to their…
Linear complexions are stable defect states that form along dislocations and recent experiments have demonstrated strengthening effects exceeding classical precipitation hardening predictions, motivating a detailed study of nanoscale…
Single-crystalline perovskite oxide membranes provide a powerful platform to access physical properties that are inaccessible in bulk crystals and substrate-clamped thin films. Within this context, the deliberate fabrication of tailored…
Controlling magnetic phases in two-dimensional systems, where charge transport is highly sensitive to real-space spin inhomogeneities, is central to understanding emergent magnetic states in reduced dimensions. In this context,…
The response of Ni-Cr alloys to exposure to molten chloride and fluoride salts is typically characterized by Cr dealloying with the formation of a Cr-depleted bi-continuous porous subsurface layer. The exact mechanism behind the loss of Cr…
An anomalous Hall effect (AHE) in antiferromagnetic (AF) systems with no net magnetization is of considerable interest for both fundamental physics and spintronic applications. Of particular interest is the two-dimensional van der Waals…
Recrystallized tungsten (W) samples were irradiated by 20 MeV self-ions at 1350 K to peak damage doses in the range of 0.001-2.3 dpa. The irradiation-induced defects were then decorated with deuterium (D) by a gentle D plasma exposure ($<5$…