Related papers: Isotope shift calculations in Ti II
We perform high-resolution spectroscopy of the $3$d$~^2$D$_{3/2} - 3$d$~^2$D$_{5/2}$ interval in all stable even isotopes of $^A$Ca$^+$ (A = 40, 42, 44, 46 and 48) with an accuracy of $\sim$ 20 Hz using direct frequency-comb Raman…
The electronic structure, when restricted to the d-band approximation, is a computational model that is both efficient and useful for describing transition metals. In the absence of considering delocalized sp-states, this approximation…
The quantum electrodynamical theory of the three-photon transitions in hydrogen-like ions is presented. Emission probabilities of various three-photon decay channels for $ 2p_{3/2} $, $ 2p_{1/2} $ and $ 2s_{1/2} $ states are calculated for…
We demonstrate a new method for the direct measurement of atomic dipole transition matrix elements based on techniques developed for quantum information purposes. The scheme consists of measuring dispersive and absorptive off-resonant…
Absolute transition frequencies of the $2s\; ^2{\rm S}_{1/2} \rightarrow 2p\;^2\mathrm{P}_{1/2,3/2}$ transitions in Be$^+$ were measured for the isotopes $^{7,9-12}$Be. The fine structure splitting of the $2p$ state and its isotope…
We have systematically investigated the structural property and electrical structures of the transition metal intercalated titanium disulfide compound Fe$_x$TiS$_2$ ($0\leq x\leq0.33$) from angle-resolved photoelectron spectroscopy with…
The 2p-3d core hole interaction in the L2,3 absorption spectra of the 3d transition metals is treated within time-dependent density functional theory (TDDFT). A simple three-level model explains the origin of the strong deviations from the…
Isotope shifts in the nuclear charge radius of even and odd calcium isotopes are calculated within the nuclear shell model. The model space includes all configurations of nucleons in the $2s, 1d_{3/2}, 1f_{7/2}, {\rm and} ~2p_{3/2}$ orbits.…
The kinetic isotope effect (KIE) is essential in various chemical applications from reaction mechanism studies to tritium removal from water. Traditional KIE evaluation relies on experimental measurements or computational approaches like…
Large scale calculations for the energy levels, transition rates, oscillator strengths, hyperfine interaction constants, Land\'e g$_J$ factors and isotope shifts have been performed for $1s^2$ and $1snl \: (n=2-8 $ and $l \leq (n-1) )$…
A possibility for fundamental constants to vary in time is suggested by theories unifying gravity with other interactions. In this article we examine proposals to use optical transitions of Sr, Dy, YbII and YbIII for the search of the time…
A system with equal number of positive and negative charges confined in a box with a small but finite thickness is modeled as a function of temperature using mesoscale numerical simulations, for various values of the charges. The Coulomb…
Two roads are presently being followed in order to establish the existence of a liquid-gas phase transition in finite nuclear systems from nuclear reactions at high energy. The clean experiment of observing the thermodynamic properties of a…
A recent tight-binding scheme provides a method for extending the results of first principles calculations to regimes involving $10^2 - 10^3$ atoms in a unit cell. The method uses an analytic set of two-center, non-orthogonal tight-binding…
It is shown that recent experiments indicating a metal-insulator transition in 2D electron systems can be interpreted in terms of a simple model, in which the resistivity is controlled by scattering at charged hole traps located in the…
Although the isotope effect in superconducting materials is well-documented, changes in the magnetic properties of antiferromagnets due to isotopic substitution are seldom discussed and remain poorly understood. This is perhaps surprising…
Defects in 2D materials are becoming prominent candidates for quantum emitters and scalable optoelectronic applications. However, several physical properties that characterize their behavior, such as charged defect ionization energies, are…
We introduce a model that accounts for the bipolar resistive switching phenomenom observed in transition metal oxides. It qualitatively describes the electric field-enhanced migration of oxygen vacancies at the nano-scale. The numerical…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
We demonstrate an efficient high-precision optical spectroscopy technique for single trapped ions with non-closed transitions. In a double-shelving technique, the absorption of a single photon is first amplified to several phonons of a…