相关论文: Solubility and partitioning of impurities in Be al…

From a recent re-analysis of the available data, Be and B Galactic evolution appears to show evidence for a two-slope behaviour with respect to O. The inferred Be/O abundance ratio in halo stars is constant at very low metallicity (primary…

Two intermetallic FeAl compounds with Al content of 70.68 and 72.17 at.pct were studied using M\"ossbauer spectroscopy (5 to 296 K) and X-ray diffraction (15 to 300 K). The compounds were found to crystallize in the orthorhombic Cmcm space…

We investigate thermodynamic and electronic properties of group IV (C, Si, Ge, Sn) and group VI (O, S, Se, Te) impurities as well as P and H in aluminum antimonide (AlSb) using first-principles calculations. To this end, we compute the…

Bimetallic nanoparticles are often superior candidates for a wide range of technological and biomedical applications, thanks to their enhanced catalytic, optical, and magnetic properties, which are often better than their monometallic…

We performed first-principles calculations to investigate the possible magnetism induced by the different concentrations of non-magnetic impurities and vacancies in BN sheet. The atoms of Be, B, C, N, O, Al and Si are used to replace either…

Using a first-principles cluster expansion, we shed light on the solid-state phase diagram and structure of the recently discovered high-performance thermoelectrics, Pb-Ag-Sb-Te alloys. The observed nanoscale inhomogeneities are shown to be…

We explore the potential energy surfaces for NH molecules interacting with alkali-metal and alkaline-earth atoms using highly correlated ab-initio electronic structure calculations. The surfaces for interaction with alkali-metal atoms have…

AlFe$_2$B$_2$, a ternary transition metal boride doped with Ag, Ni, Sb, Ga, and Ge was investigated for the phase constituents, microstructure, and thermoelectric properties. The parent compound with 20\% excess Al (Al$_{1.2}$Fe$_2$B$_2$)…

The family of multi-layered superconductors derived from the doped topological insulator Bi$_2$Se$_3$ has been found to be unusually robust against non-magnetic disorder. Recent experimental studies have highlighted the fact that the…

The local order around alkali (Li$^+$ and Na$^+$) and alkaline-eath (Be$^+$, Mg$^+$ and Ca$^+$) ions in $^4$He clusters has been studied using ground-state path integral Monte Carlo calculations. We apply a criterion based on multipole…

High-resolution photoemission spectroscopy and realistic ab-initio calculations have been employed to analyze the onset and progression of d-sp hybridization in Fe impurities deposited on alkali metal films. The interplay between…

Pressure-induced transitions from ordered intermetallic phases to substitutional alloys to semi-ordered phases were studied in a series of bismuth tellurides. Using angle-dispersive x-ray diffraction, the compounds Bi4Te5, BiTe, and Bi2Te…

We use scanning tunneling microscopy (STM) to study magnetic Fe impurities intentionally doped into the high-temperature superconductor Bi$_{2}$Sr$_{2}$Ca$_{2}$CuO$_{8+\delta}$. Our spectroscopic measurements reveal that Fe impurities…

Ultrafine-grained aluminum alloys offer interesting multifunctional properties with a combination of high strength, low electrical resistivity, and low density. However, due to thermally induced grain coarsening, they typically suffer from…

In stars, metallicity is usually traced using Fe, while in nebulae, O serves as the preferred proxy. Both elements have different nucleosynthetic origins and are not directly comparable. Additionally, in ionized nebulae, Fe is heavily…

Density functional calculations are used to investigate the effects of partial substitutional alloying of the B site in MgB2 with C and Be alone and combined with alloying of the Mg site with Cu. The effect of such substitutions on the…

MAB phases (MABs) are atomically-thin laminates of ceramic/metallic-like layers, having made a breakthrough in the development of 2D materials. Though theoretically offering a vast chemical and phase space, relatively few MABs have yet been…

The search for effective methods to fabricate bulk single-phase quasicrystalline Al-Cu-Fe alloys is currently an important task. Crucial to solving this problem is to understand mechanisms of phase formation in this system. Here we study…

Al-Mg-Si alloys are utilized in large scale electrical conduction applications thanks to their low density, high strength, and low electrical resistivity. The alloying elements, Mg and Si, are introduced to improve the mechanical strength;…

After irradiation of Fe-Cr alloys of low purity (model alloys of F-M steels), minor solute elements as P, Ni and Si have been shown to create solute clusters which significantly contribute to hardening and might be associated with small…