Related papers: Hafnium binary alloys from experiments and first p…
The question of whether one can systematically identify (previously unknown) ferroelectric phases of a given material is addressed, taking hafnia (HfO$_2$) as an example. Low free energy phases at various pressures and temperatures are…
AR Aur A+B is a close binary of astrophysical interest, because dissimilar surface compositions are reported between similar late B-type dwarfs. A new spectroscopic study on this system was carried out based on the disentangled spectra, in…
Prediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: {Bi-In, Bi-Mg,…
A multitude of observed boron-based materials have outstanding superconducting, mechanical, and refractory properties. Yet, the structure, the composition, and the very existence of some reported metal boride (M-B) compounds have been a…
Half Heusler (HH) thermoelectric alloys provide a wide platform to choose materials with non-toxic and earth abundant elements. This article presents an ab-initio theoretical evaluation of electrical and thermal transport properties of…
Amorphous complexions have recently been demonstrated to simultaneously enhance the ductility and stability of certain nanocrystalline alloys. In this study, three quinary alloys (Cu-Zr-Hf-Mo-Nb, Cu-Zr-Hf-Nb-Ti, and Cu-Zr-Hf-Mo-W) are…
Chemists and material scientists have often focused on the properties of previously reported compounds, leaving out numerous unreported but chemically plausible compounds that could have interesting properties. For example, the 18-valence…
Many different types of phases can form within alloys, from highly-ordered intermetallic compounds, to structurally-ordered but chemically-disordered solid solutions, and structurally-disordered (i.e. amorphous) metallic glasses. The…
Using ab initio Density Functional Theory (DFT) calculations, we investigate the electronic structure, phase stability, and magnetic properties of equiatomic binary alloys between Al and 3d magnetic transition elements (Cr, Mn, Fe, Co, and…
We present abundances for Ru and Hf, compare them to abundances of other heavy elements, and discuss the problems found in determining Ru and Hf abundances with laboratory gf-values in the spectra of barium stars. We determined Ru and Hf…
Since the first report of ferroelectricity in nanoscale HfO$_2$-based thin films in 2011, this silicon-compatible binary oxide has quickly garnered intense interest in academia and industry, and continues to do so. Despite its deceivingly…
A measurement of hafnium foil using a modified ultra-low-background high purity detector with optimized sample-to-detector geometry was performed at Laboratori Nazionale del Gran Sasso. Radiopurity of the stock Hf foil was studied in…
Amorphous grain boundary complexions have been shown to be radiation tolerant interfaces that can also reduce grain boundary embrittlement, marking them as favorable microstructural features. However, the incorporation of these features…
In actinide systems, the 5f electrons experience a uniquely delicate balance of effects and interactions having similar energy scales, which are often difficult to properly disentangle. This interplay of factors such as the dual nature of…
Building on the recent discovery of tough nanocrystalline Cu-Zr alloys with amorphous intergranular films, this paper investigates ternary nanocrystalline Cu-Zr-Hf alloys with a focus on understanding how alloy composition affects the…
Machine learning (ML) is increasingly becoming a helpful tool in the search for novel functional compounds. Here we use classification via random forests to predict the stability of half-Heusler (HH) compounds, using only experimentally…
The development of multifunctional devices calls for the discovery of new layered materials with novel electronic properties. f-electron systems naturally host a rich set of competing and intertwining phases owning to the presence of strong…
Brown dwarf spectra are rich in information revealing of the chemical and physical processes operating in their atmospheres. We apply a recently developed atmospheric retrieval tool to an ensemble of late T-dwarf (600-800K) near infrared…
Ordered intermetallics are long believed to be the final products of the aging of U-Nb solid solutions at low temperatures, a crucial property for the practical applications of this alloy in engineering and industry. However, such…
Hyperuniform states of matter exhibit unusual suppression of density fluctuations at large scales, contrasting sharply with typical disordered configurations. Various types of hyperuniformity emerge in multicomponent disordered systems,…