相关论文: Solute-solute interactions in intermetallic compou…
The electrostatic interaction between an excited atom and a diatomic ground state molecule in an arbitrary rovibrational level at large mutual separations is investigated with a general second-order perturbation theory, in the perspective…
A method for study of charge-transfer interactions between solute molecules and solvent based on the comparison of the ratios of spectral shifts of different electronic transitions in solute molecules in chemically inert solvent is…
Diffusion of impurity atoms depends on the sublattices occupied, active diffusion mechanisms, and jump frequencies to neighboring sites. The method of perturbed angular correlation of gamma rays (PAC) has been applied over the past decade…
The yields of photonuclear reactions in the 107Ag, 113In, and 115In nuclei have been measured. Monte Carlo simulations have been performed using the Geant4 code, and the results have been compared with the experimental ones. The isomeric…
We present a comprehensive set of first principles electronic structure calculations to study transition metal solutes and their interactions with point defects in austenite. Clear trends were observed across the series. Solute-defect…
We consider the effect of the internal nuclear quadrupole interaction on quantum tunneling in complex multi-atomic two-level systems. Two distinct regimes of strong and weak interactions are found. The regimes depend on the relationship…
Understanding interlayer and intralayer coupling in two-dimensional layered materials (2DLMs) has fundamental and technological importance for their large-scale production, engineering heterostructures, and development of flexible and…
We present analysis of a system of three two-level atoms interacting with each other through the dipole-dipole interaction. The interaction manifests between excited state of one of the atoms and the ground state of its nearest neighbour.…
The design of large-scale colloidal quantum dots (QDs) assemblies and the investigation of their interaction with their close environment are of great interest for improving QD-based optoelectronic devices' performances. Understanding the…
Angle-resolved photoemission spectroscopy and Auger electron spectroscopy have been applied to study the intercalation process of silver underneath a monolayer of graphite (MG) on Ni(111). The room-temperature deposition of silver on top of…
Pd is one of the metals suitable for inducing low-temperature crystallization in Ge. However, it is not clear how residual Pd atoms are integrated into the Ge lattice. Therefore, time-differential perturbed angular correlations (TDPAC)…
We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…
We report on an atomic-scale X-ray Photon Correlation Spectroscopy study on Fe-rich FeAl in the B2-ordered regime revealing effective <111>-exchanges of atoms on the Al-sublattice. The diffusion mechanism responsible for these exchanges is…
Radiative association and photodissociation rates are calculated for quadrupole transitions of H2. A complete set of bound and unbound states are included in a self-consistent master equation to obtain steady-state concentrations for a…
Similar to interactions between dipoles, or van der Waals interactions, quadrupole-quadrupole interactions are interactions between quadrupoles. In this article, we study the quadrupole interactions between highly excited atoms or Rydberg…
In this paper we investigate the effect of Cd doping at ultra-low concentrations in SnO$_2$ both experimentally, by measuring the temperature dependence of the electric quadrupole hyperfine interactions with time-differential perturbed…
We present an extensive first-principles database of solute-vacancy, homoatomic, heteroatomic solute-solute, and solute-solute-vacancy binding energies of relevant alloying elements in aluminum. We particularly focus on the systems with…
We explore the possibilities for a next-generation electron-electric-dipole-moment experiment using ultracold heteronuclear diatomic molecules assembled from a combination of radium and another laser-coolable atom. In particular, we…
Hartree-Fock and coupled-cluster calculations have been performed for cubic AgCl and for AuCl having a cubic or the observed structure with space group I4_1/amd. Cohesive energies and lattice constants are in excellent agreement with…
The onset of collision dynamics between an ion and a Rydberg atom is studied in a regime characterized by a multitude of collision channels. These channels arise from coupling between a non-polar Rydberg state and numerous highly polar…