相关论文: One-for-multiple substitution in solid solutions

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…

Theoretical {\em ab initio} and experimental methods were used to investigate the $x$Bi(Zn,Ti)O$_3$-(1-$x$)PbTiO$_3$ (BZT-PT) solid solution. We find that hybridization between Zn 4$p$ and O 2$p$ orbitals allows the formation of short,…

Matter at intermediate baryon densities and low temperatures is notoriously hard to tackle theoretically. Whereas lattice methods cannot cover more than rather small densities, perturbative methods are only applicable at much higher…

In this paper we present some concepts in heavy ion atomic physics for the extraction of parity violating effects. We investigate the effects of the so-called Stark-quenching, i.e., the fast decay of a meta stable state induced by a Stark…

Properties of point defects resulting from the incorporation of inert-gas atoms in bcc tungsten are investigated systematically using first-principles density functional theory (DFT) calculations. The most stable configuration for the…

In a recent study, based on homogeneous barium abundance measurements in open clusters, a trend of increasing [Ba/Fe] ratios for decreasing cluster age was reported. We present here further abundance determinations, relative to four other…

Group I/II materials exhibit unexpected structural phase transitions at high pressures, providing potential insight into the origins of elemental superconductivity. We present here a computational study of elemental barium and binary…

Combinatorial introduction of heteroatoms in the two-dimensional framework of aromatic hydrocarbons opens up possibilities to design compound libraries exhibiting desirable photovoltaic and photochemical properties. Exhaustive enumeration…

Understanding the dynamics of charge exchange between a solid surface and a liquid is fundamental to various situations, ranging from nanofiltration to catalysis and electrochemistry. Charge transfer is ultimately determined by…

Single-atom catalysts have attracted significant attention due to their exceptional atomic utilization and high efficiency in a range of catalytic reactions. However, these systems often face thermodynamic instability, leading to…

We create two overlapping one-dimensional optical lattices using a single laser beam, a spatial light modulator and a high numerical aperture lens. These lattices have the potential to trap single atoms, and using the dynamic capabilities…

Besides the use as cold matrix for spectroscopic studies, superfluid helium droplets have served as a cold environment for the synthesis of molecules and clusters. Since vibrational frequencies of molecules in helium droplets exhibit almost…

The partial (up to 7 %) substitution of Cd for Zn in the Yb-based heavy-fermion material YbFe$_2$Zn$_{20}$ is known to induce a slight ($\sim 20$ %) reduction of the Sommerfeld specific heat coefficient $\gamma$ and a huge (up to two orders…

A proton is known for its longevity, but what is its lifetime? While many Grand Unified Theories predict the proton decay with a finite lifetime, we show that the Standard Model (SM) and some versions of Ultra Unification (which replace…

Alongside future observations with the new European Extremely Large Telescope (ELT), optimised instruments on the 8-10m generation of telescopes will still be competitive at 'ground UV' wavelengths (3000-4000 A). The near UV provides a…

We studied the structural and magnetic properties of the solid solution Fe$_{1-x}$Ni$_{x}$B through theoretical and experimental approaches. Powder X-ray diffraction, X-ray Pair Distribution Function analysis, and energy dispersive X-ray…

The $^7$Li abundance calculated in BBN with the baryon-to-photon ratio fixed from fits to the CMB power spectrum is inconsistent with the observed lithium abundances on the surface of metal-poor halo stars. Previous cosmological solutions…

We investigate a modified version of the $AB$ random sequential adsorption model. Specifically, this model involves the deposition of two distinct types of particles onto a lattice, with the constraint that different types cannot occupy…

The preference for the occupation of solute atoms like B, C, N, and O at various sites in iron is generally explained by the size of the solute and the volume available for the solute atoms to occupy. Such an explanation based on the size…

The abundance of primordial lithium is derived from the observed spectroscopy of metal-poor stars in the galactic halo. However, the observationally inferred abundance remains at about a factor of three below the abundance predicted by…