Materials Science
Architected metamaterials like foams and lattices exhibit complex responses governed by microstructural instabilities, localization, and phase-transition-like phenomena. Their behavior is further affected by heterogeneities inherent in…
Sol-gel synthesis is a wet-chemical processing route for the fabrication of functional materials offering control over composition, morphology, and microstructure at relatively low processing temperatures compared to conventional…
Material properties are fundamentally dictated by multiscale phenomena, which often reach mesoscale in size. The {\mu}m mesoscale is also the size which can be observed directly under an optical microscope, bridging the atomistic…
The interplay between magnetism and electronic topology offers a powerful route to realizing emergent quantum phases. Here, we show that Zn substitution in the layered compound EuMn$_2$Sb$_2$ drives a transition from a C-type…
Tailoring the magnetic properties of chromium tellurides via heterointercalation with extrinsic transition metals remains largely unexplored. Here, we report a comprehensive investigation of trigonal Cr$_5$Te$_8$ and Cr$_4$MnTe$_8$ single…
Spin-active color centers are the basis of solid-state defect systems utilized in quantum technologies. Although silicon is an emerging host material for quantum defects, there is an urgent need to characterize color centers with a non-zero…
Nonequilibrium manipulation of quantum materials via electromagnetic dressing provides an on-demand route to tailoring electronic band structures through Floquet engineering. Time- and angle-resolved photoemission spectroscopy offers a…
Controlling the microstructure of thin films is of critical importance for various applications. We demonstrate a methodology for tuning the local microstructure through film-substrate interactions using Ag-Cu as a model system. Metastable…
We present a comprehensive study of the magnetocaloric effect (MCE) in the Nd$T_4$B system where $T$ = Fe, Co, and Ni. These compounds are ferromagnetic kagome materials with tunable ordering temperatures, transition width, and magnetic…
Ferrons are a type of quasiparticle corresponding to elementary excitations of the ferroelectric order. Analogously to how magnons modulate and transport magnetization, ferrons modulate and transport electric polarization. Here, we…
Atomistic machine learning (ML) is a powerful tool for accurate and efficient investigation of material behavior at the atomic scale. While such models have been constructed within Cartesian space to harness geometric information and…
Despite extensive theoretical treatment of short- to long-crack transitions, direct experimental quantification of how elastic and plastic energy contributions evolve at the crack tip during arrest has remained absent. In this study, we…
Chiral phonons, circularly polarized lattice vibrations carrying intrinsic angular momentum, offer unprecedented opportunities for controlling heat flow, manipulating quantum states through spin-phonon coupling, and realizing exotic…
Two-dimensional magnetic materials (2D-MM) are an exciting playground for fundamental research, and for spintronics and quantum sensing. However, their large-grain large-area synthesis using scalable vapour deposition methods is still an…
We investigate the impact of OH- ions incorporation on the lattice strain and spontaneous polarization of BaTiO3 nanorods synthesized under different conditions. It was confirmed that the lattice strain depends directly on Ba…
Density function theory is the workhorse of modern electronic structure theory. However, its accuracy in practical calculations is limited by the choice of the exchange-correlation potential. In this respect, two-dimensional materials pose…
Delocalization error prevents density functional theory (DFT) from reaching its full potential, causing problems like systematically underestimated band gaps and misaligned energy levels at interfaces. We introduce lrLOSC to correct…
Phonons play a crucial role in many properties of solid state systems, such as thermal and electrical conductivity, neutron scattering and associated effects or superconductivity. Hence, it is expected that topological phonons will also…
The construction of Wannier functions from Bloch orbitals offers a unitary freedom that can be exploited to yield Wannier functions with advantageous properties. Minimizing the spatial variance is a well-known choice; another, previously…
We report the electrochemical investigation and study the diffusion kinetics of boron doped Na$_{0.66}$Mn$_{0.8}$Fe$_{0.2}$O$_{2}$ (B-NMFO) cathode materials for sodium-ion batteries. Notably, the B-NMFO cathode exhibits improved specific…