材料科学
The energy density method is generalized to include spin polarization with the full formalism derived based on spin-density functional theory, which aims at decomposing the total energy into well-defined atomic energies. The method involves…
The electronic and thermoelectric (TE) transport properties of 13 n-type and p-type half-Heusler alloys are computationally examined using Boltzmann transport. The electronic scattering times resulting from all relevant phonon interactions…
We measure the colossal permittivity in single crystal Fe$_2$TiO$_5$ using broadband spectroscopy in the frequency range 20 Hz - 1 MHz. The relaxation response is analyzed using a Debye-like model with Arrhenius activation in two different…
Solid-solid phase transitions in metals are traditionally driven by changes in density or external pressure. Here we show that, under strong electronic excitation, structural stability is governed by the interplay between electronic effects…
Two-dimensional ferromagnets with strong perpendicular magnetic anisotropy exhibit magnetic order down to the monolayer thickness, beneficial for energy-efficient spintronic devices. In this work, molecular beam epitaxy has been employed to…
Accessing metastable structural states in high-entropy alloys offers a promising route to tailor material properties, yet the use of high pressure to engineer such states remains underexplored. Here, we report the pressure-driven synthesis…
Migration of halide defects guides ion transport in metal halide perovskites and controls the kinetics of halide mixing and phase separation. We study the diffusion of halide vacancies and interstitials in \ce{CsPb(I_{x}Br_{1-x})_{3}} and…
Laser-generated surface acoustic waves (SAW) facilitate efficient information processing in modern spintronics and magnonics. The ability to tune the SAW parameters such as amplitude is crucial to achieve acoustic control over magnonic…
We demonstrate a nondestructive, high-throughput method for observing dislocations in GaN (0001) using phase-contrast microscopy (PCM). The PCM images (359x300 $\mu$m$^2$) analyzed in this study were acquired with an exposure time of 3 ms…
Highly-crystalline ferroelectric oxides integrated on Si hold great promise for energy-efficient memory and logic technologies. Exploiting epitaxial strain engineering in these materials is, however, severely hampered on Si, where the large…
Conventional topological Hall effects (THE) require conducting magnets, leaving insulating systems largely inaccessible. Here we introduce the interfacial topological Hall effect (ITHE), where the noncoplanar spin textures of insulating…
One main limiting factor towards achieving high coherence times in superconducting circuits is two level system (TLS) losses. Mitigating such losses requires controlling the formation of native oxides at the metal-air interface. Here, we…
Spin- and orbital-resolved access to the electronic bands is necessary to establish key properties of quantum materials such as the quantum-geometric tensor. Despite recent revival on magnetic Kagome compounds, no spectroscopic access to…
The specific configurations of hydrogen impurities in SrTiO3 (STO) are still ambiguous. In this study, we systematically investigate the configurations and vibrational properties of hy-drogen impurities in cubic STO using first-principles…
Fe3GaTe2 (FGaT), a two-dimensional (2D) layered ferromagnetic metal, exhibits a high Curie temperature (TC) ~ 360 K along with strong perpendicular magnetic anisotropy (PMA), making it a promising material candidate for next-generation…
We visualize the topological ladder and band inversions in PtTe$_2$ using spin-polarized photoemission spectroscopy augmented by three-dimensional momentum imaging. This approach enables the detection of spin polarization in dispersive…
SrTiO3 (STO) displays a broad spectrum of physical properties, including superconductivity, ferroelectricity, and photoconductivity, making it a standout semiconductor material. Despite extensive researches, the oxygen partial…
Recent years have witnessed a steady progress towards blending 2D quantum materials into technology, with future applications often rooted in the electronic structure. Since crossings and inversions of electronic bands with different…
Many natural phenomena involve processes that happen simultaneously at different characteristic length- and timescales. Typically, the region where the process of interest happens is affected by fluctuations in its surroundings. Modeling…
Processing treatments of alloys, despite being influential to alloy properties, are often neglected in machine-learning aided alloy designs due to the difficulties in expressing this information. We investigated the expressiveness of…