材料科学
Controlling magnetic textures at ever smaller length and time scales is of key fundamental and technological interest. Achieving nanoscale control often relies on finding an external stimulus that is able to act on that small length scales,…
We compute the ab-initio electron density beyond the strict Born-Oppenheimer approximation in crystalline LiH and LiD with density functional methods. By taking into account the quantum mechanical nature of the nuclei, an aspect absent in…
Remote epitaxy, where a 2D van der Waals material (usually graphene) is inserted on top of the substrate before film epitaxy, has emerged as a promising path for growing electronics with lower defect rates and less stringent lattice…
The interaction between the electrons and the lattice vibrations in a solid is responsible for various important effects, such as formation of polarons, temperature dependent bandgaps, phonon-limited carrier transport, and conventional…
The synergy of ferroicity with altermagnetism offers a novel platform for designing multifunctional altermagnetic-spintronic device technology. In this work, we propose a mechanism to achieve nonvolatile electrical manipulation of spin and…
Much of the exotic functionality of prime interest in quantum materials emerges from structural and electronic ground states that can only be accessed at cryogenic temperatures. Understanding device operation therefore requires structural…
Understanding ion-matter interactions at the atomistic level is key to advancing materials for the semiconductor industry, space systems, and nuclear fusion technologies. However, most atomistic frameworks still rely on simplified…
MnBi$_2$Te$_4$ and MnBi$_4$Te$_7$ are antiferromagnetic topological insulators belonging to the MnBi$_{2n}$Te$_{3n+1}$ series, where structural layering provides a natural route to tune magnetic interaction in van der Waals magnets. Despite…
Phase-change materials (PCMs)-based integrated photonic memory offers a viable pathway for the development of neuromorphic computing chip. The sizable optical contrast in the telecom band between amorphous and crystalline phases of PCM, in…
Half-Heusler compounds from the $RE$PtBi family exemplify Weyl semimetals in which external magnetic field induce Weyl nodes. These materials exceptionally host topologically non-trivial states near the Fermi level and their manifestation…
Topologically trivial and non-trivial semimetals with a high degree of carrier compensation are well known for demonstrating large transverse magnetothermopower ($S_{yx}$). However, in such systems, the longitudinal magnetothermopower…
The accelerating gradient of Nb3Sn superconducting radiofrequency (SRF) cavities is currently limited, and the underlying cause remains an open question in the field. One leading hypothesis attributes this limitation to the presence of…
This perspective overviews the family of two-dimensional (2D) materials, which have attracted significant attention due to their properties and potential applications, and discusses how novel 2D materials including van der Waals (vdW) and…
We investigate the dynamics of ferroelectric textures driven by polarization currents. We show that, ferrons, the quanta of collective polarization excitations, provide an exotic driving mechanism for domain wall (DW) dynamics, compared…
We demonstrate a highly efficient GPU implementation of the Wannier interpolation of electron-phonon matrix elements in the EPW code. Building on a systematic analysis of the computational complexity of the algorithm for electron-phonon…
Atom probe tomography (APT) fills a crucial need in the characterization workflow of materials by its ability to inform the 3D chemical microstructure at the nanoscale. As with any characterization techniques, APT has strengths and…
Solid-state semiconductor lasers underpin technologies from telecommunications and data storage to sensing, medical diagnostics, and emerging quantum communication. Polaritons-hybrid exciton-photon states have further extended this reach,…
We investigated the structural evolution and optical properties of beta-Ga2O3 crystals implanted with different rare-earth (RE) ions using channeling Rutherford Backscattering Spectrometry, Positron Annihilation, Photoluminescence, and…
We introduce Flexible Cutoff Learning (FCL), a method for training machine learning interatomic potentials (MLIPs) whose cutoff radii can be adjusted after training. Unlike conventional MLIPs that fix the cutoff radius during training, FCL…
Achieving efficient ultrafast optical control of antiferromagnetic spin dynamics is a central goal for next-generation high-speed THz spintronic and magnonic devices. Resonant optical pumping of crystal-field-split d-d orbital multiplets in…