Dataset on density functional theory investigation of ternary Heusler alloys.

This paper contains data and results from Density Functional Theory (DFT) investigation of 423 distinct X2YZ ternary full Heusler alloys, where X and Y represent elements from the D-block of the periodic table and Z signifies element from main group. The study encompasses both "regular" and "inverse" Heusler phases of these alloys for a total of 846 potential materials. For each specific alloy and each phase, a range of information is provided including total energy, formation energy, lattice constant, total and site-specific magnetic moments, spin polarization as well as total and projected density of electronic states. The aim of creating this dataset is to provide fundamental theoretical insights into ternary X2YZ Heusler alloys for further theoretical and experimental analysis.

Demonstration of nearly pinhole-free epitaxial aluminum thin films by sputter beam epitaxy.

Superconducting resonators with high quality factors have been fabricated from aluminum films, suggesting potential applications in quantum computing. Improvement of thin film crystal quality and removal of void and pinhole defects will improve quality factor and functional yield. Epitaxial aluminum films with superb crystallinity, high surface smoothness, and interface sharpness were successfully grown on the c-plane of sapphire using sputter beam epitaxy. This study assesses the effects of varying substrate preparation conditions and growth and prebake temperatures on crystallinity and smoothness. X-ray diffraction and reflectivity measurements yield extensive Laue oscillations and Kiessig thickness fringes for films grown at 200 °C under 15 mTorr Ar, indicating excellent crystallinity and surface smoothness; moreover, an additional substrate preparation procedure which involves (1) a modified substrate cleaning procedure and (2) prebake at 700 °C in 20 mTorr O2 is shown by atomic force microscopy to yield nearly pinhole-free film growth while maintaining epitaxy and high crystal quality. The modified cleaning procedure is environmentally friendly and eliminates the acid etch steps common to conventional sapphire preparation, suggesting potential industrial application both on standard epitaxial and patterned surface sapphire substrates.

Conductivitylike Gilbert Damping due to Intraband Scattering in Epitaxial Iron.

Confirming the origin of Gilbert damping by experiment has remained a challenge for many decades, even for simple ferromagnetic metals. Here, we experimentally identify Gilbert damping that increases with decreasing electronic scattering in epitaxial thin films of pure Fe. This observation of conductivitylike damping, which cannot be accounted for by classical eddy-current loss, is in excellent quantitative agreement with theoretical predictions of Gilbert damping due to intraband scattering. Our results resolve the long-standing question about a fundamental damping mechanism and offer hints for engineering low-loss magnetic metals for cryogenic spintronics and quantum devices.

Room Temperature Skyrmions in Strain-Engineered FeGe thin films.

Skyrmions hold great promise for low-energy consumption and stable high density information storage, and stabilization of the skyrmion lattice (SkX) phase at or above room temperature is greatly desired for practical use. The topological Hall effect can be used to identify candidate systems above room temperature, a challenging regime for direct observation by Lorentz electron microscopy. Atomically ordered FeGe thin films are grown epitaxially on Ge(111) substrates with ~ 4 % tensile strain. Magnetic characterization reveals enhancement of Curie temperature to 350 K due to strain, well above the bulk value of 278 K. Strong topological Hall effect was observed between 10 K and 330 K, with a significant increase in magnitude observed at 330 K. The increase in magnitude occurs just below the Curie temperature, a similar relative temperature position as the onset of Skx phase in bulk FeGe. The results suggest that strained FeGe films may host a SkX phase above room temperature when significant tensile strain is applied.