相关论文: Hafnium binary alloys from experiments and first p…

The estimation of the binary fraction of hot subdwarfs is key to shed light on the different evolution scenarios proposed to explain the loss of the hydrogen envelope during the red giant branch phase. In this paper we analyse the spectral…

We analyze the phase diagram for a system of weakly-coupled electrons having an electron- and a hole-band with imperfect nesting. Namely, both bands have spherical Fermi surfaces, but their radii are slightly different, with a mismatch…

We present follow-up spectroscopy and a detailed model atmosphere analysis of 29 wide double white dwarfs, including eight systems with a crystallized C/O core member. We use state-of-the-art evolutionary models to constrain the physical…

We report on a dynamical mean-field theoretical analysis of emerging low-temperature phases in multicomponent gases of fermionic alkaline-earth(-like) atoms in state-dependent optical lattices. Using the example of $^{173}$Yb atoms, we show…

In this work, we provide important insights into the evolution of half-metallicity in quaternary Heusler alloys. Employing {\it ab initio} electronic structure methods we study 18 quaternary Heusler compounds having the chemical formula…

Ferroelectricity in binary oxides including hafnia and zirconia have riveted the attention of the scientific community due to highly unconventional physical mechanisms and the potential for integration of these materials into semiconductor…

Developing fast and accurate methods to discover intermetallic compounds is relevant for alloy design. While density-functional-theory (DFT)-based methods have accelerated design of binary and ternary alloys by providing rapid access to the…

Chalcogenides, which refer to chalcogen anions, have attracted considerable attention in multiple fields of applications, such as optoelectronics, thermoelectrics, transparent contacts, and thin film transistors. In comparison to oxide…

White dwarfs with a F, G or K type companion represent the last common ancestor for a plethora of exotic systems throughout the galaxy, though to this point very few of them have been fully characterised in terms of orbital period and…

We have derived accurate and homogeneous Lithium abundances in 49 main sequence binary systems belonging to the Hyades Open Cluster by using a deconvolution method to determine individual magnitudes and colors for the primary and secondary…

Hafnium dioxide (HfO2) is a promising ferroelectric (FE) material for achieving high-density nonvolatile memory and neuromorphic computing, due to its compatibility with the mainstream integrated circuit technology and the surprisingly…

High-resolution, high-signal-to-noise (<S/N> = 85) spectra have been obtained for five stars -- CD-24:17504, CD-38:245, CS 22172-002, CS 22885-096, and CS 22949-037 -- having [Fe/H] < -3.5 according to previous lower S/N material. LTE…

Theoretical frameworks used to qualitatively and quantitatively describe nuclear dynamics in solids are often based on the harmonic approximation. However, this approximation is known to become inaccurate or to break down completely in many…

Machine learning has emerged as a novel tool for the efficient prediction of materials properties, and claims have been made that machine-learned models for the formation energy of compounds can approach the accuracy of Density Functional…

Half-Heusler (HH) compounds have shown high Figure of merits up to 1.5. The key to these high thermoelectric efficiencies is an intrinsic phase separation, which occurs in multicomponent Half-Heusler compounds and leads to an significantly…

Tailoring and improving material properties by alloying is a long-known and used concept. Recent research has demonstrated the potential of ab initio calculations in understanding the material properties at the nanoscale. Here we present a…

Lennard-Jones (LJ) fluids serve as an important theoretical framework for understanding molecular interactions. Binary LJ fluids, where two distinct species of particles interact based on the LJ potential, exhibit rich phase behavior and…

We survey the landscape of binary hydrides across the entire periodic table from 10 to 500 GPa using a crystal structure prediction method. Building a critical temperature ($T_c$) model, with inputs arising from density of states…

The search for high-temperature superconductors in hydrides under high pressure has always been a research hotspot. Hydrogen-based superconductors offer an avenue to achieve the long-sought goal of superconductivity at room temperature. We…

We develop a new approach to determining LJ-EAM potentials for alloys and use these to determine the solid-liquid phase diagrams for binary metallic alloys using Kofke's Gibbs-Duhem integration technique combined with semigrand canonical…