Lifetime of the Cs 6P1/2 state in bcc and hcp solid 4He

We present the first experimental study of time-resolved fluorescence from laser-excited Cs(6P_1/2) atoms isolated in a solid ⁴He matrix. The results are compared to the predictions of the bubble model including the interaction of the atomic dipole with its radiation reflected at the bubble interface. Our results show that in liquid He as well as in the body-centered cubic (bcc) crystalline phase of He the lifetime of excited Cs atoms does not depend on He pressure, in agreement with our theory. When going from the bcc to the hexagonally close-packed (hcp) phase of ⁴He the lifetime is reduced by ≈10% and decreases further with increasing He pressure. We assign this effect to the formation of Cs^*He_n exciplexes, and determine the pressure dependence of the probability that the 6P_1/2 state decays via this nonradiative channel.     

Hyperfine quenching of the 4s4p <Superscript>3</Superscript>P<Subscript>0</Subscript> level in Zn-like ions

In this paper, we used the multiconfiguration Dirac-Fock method to compute with high precision the influence of the hyperfine interaction on the [Ar] P₀ level lifetime in Zn-like ions for stable and some quasi-stable isotopes of nonzero nuclear spin between Z=30 and Z=92. The influence of this interaction on the [Ar] P P₀ separation energy is also calculated for the same ions.     

Electron-phonon contribution to hole linewidth of the surface state on Al(0 0 1)

We report an ab initio study of the electron-phonon interaction and its contribution to the excited hole linewidth of the surface state on Al(0 0 1). We have also evaluated the phonon-induced contribution to the linewidth of the occupied energy bands of Δ₁ symmetry in bulk Al. The calculations were carried out using a linear response approach in the plane-wave pseudopotential representation.     

The Gamow shell model with realistic interactions: a theoretical framework for ab initio nuclear structure at drip-lines

Ab initio approaches are among the most advanced models to solve the nuclear many-body problem. In particular, the no-core–shell model and many-body perturbation theory have been recently extended to the Gamow shell model framework, where the harmonic oscillator basis is replaced by a basis bearing bound, resonance and scattering states, i.e. the Berggren basis. As continuum coupling is included at basis level and as configuration mixing takes care of inter-nucleon correlations, halo and resonance nuclei can be properly described with the Gamow shell model. The development of the no-core Gamow shell model and the introduction of the $\hat{\bar{Q}}$-box method in the Gamow shell model, as well as their first ab initio applications, will be reviewed in this paper. Peculiarities compared to models using harmonic oscillator bases will be shortly described. The current power and limitations of ab initio Gamow shell model will also be discussed, as well as its potential for future applications.     

Ab initio study of ground and low-lying excited states of MgLi and MgLi+ molecules with valence full configuration interaction and MRCI method

The ground and low-lying excited states of MgLi and MgLi⁺ molecules have been investigated. The potential energy curves and the permanent and transition dipole moments of the MgLi and MgLi⁺ molecules are determined making use of the multi-reference configuration interaction and valence full configuration interaction with large basis sets. The core–valence correlation and scalar relativistic correction are also taken into account with aug-cc-pCVQZ basis set and the third-order Douglas–Kroll Hamiltonian approximation, respectively. The transition dipole moments are used to evaluate the radiative lifetimes of the vibrational levels for the low-lying excited states of the MgLi and MgLi⁺ molecules. The derived spectroscopic constants of the ground and low-lying excited states are in good agreement with available experimental and theoretical works.     

On the Structures,Lifetimes, and Infrared Spectra of Alkylmercury Hydrides

A series of six small alkylmercury hydrides of the general formula RHgH with R=methyl, ethyl, n‐propyl, isopropyl, n‐butyl, and 3‐butenyl were obtained by reduction in vacuo of the corresponding mercury halide with tributyltin hydride in the presence of a radical inhibitor. These very reactive compounds, which have to be removed from the reaction mixture as they are formed, were characterized by ¹H NMR and ¹³C NMR spectroscopy. The IR spectra of n‐propyl‐, isopropyl‐, n‐butyl‐, and 3‐butenylmercury hydride were recorded for the first time. All compounds were then studied by density functional theory calculations on the basis of a recent theoretical assessment for alkylmercury compounds performed by our group. Comparison of the experimental and theoretical results allowed the assignment of the vibrational modes in an unambiguous way, in spite of the low intrinsic stability of some of the derivatives investigated. The experimental procedure implemented for registering the IR spectra of these unstable species in the gas phase allowed us to obtain reasonable estimates of their lifetimes.     

Photonic nanostructures for advanced light trapping in silicon solar cells: the impact of etching on the material electronic quality

Dry plasma etching, commonly used by the Photonics community as the etching technique for the fabrication of photonic nanostructures, could be a source of device performance limitations when used in the frame of silicon photovoltaics. So far, the lack of silicon solar cells with state‐of‐the‐art efficiencies utilizing nanophotonic concepts shows how challenging their integration is, owing to the trade‐off between optical and electrical properties. In this study we show that dry plasma etching results in the degradation of the silicon material quality due to (i) a high density of dangling bonds and (ii) the presence of sub‐surface defects, resulting in high surface recombination velocities and low minority carrier lifetimes. On the contrary, wet chemical anisotropic etching used as an alternative, leads to the formation of inverted nanopyramids that result in low surface recombination velocity and low density of dangling bonds. The proposed inverted nanopyramids could enable high efficiency photonic assisted solar cells by offering the potential to achieve higher short‐circuit current without degrading the open circuit voltage. (© 2016 WILEY‐VCH Verlag GmbH &Co. KGaA, Weinheim)     

Multiple Triplet Metal-Centered Jahn-Teller Isomers Determine Temperature-Dependent Luminescence Lifetimes in [Ru(bpy)3]2+

Understanding the factors that determine the luminescence lifetime of transition metal compounds is key for applications in photocatalysis and photodynamic therapy. Here we show that for (bpy = 2,2’-bipyridine), the generally accepted idea that emission lifetimes can be controlled optimizing the energy barrier from the emissive triplet metal-to-ligand charge-transfer (³MLCT) state to the thermally-activated triplet metal-centered (³MC) state or the energy gap between both states is a misconception. Further, we demonstrate that considering a single relaxation pathway determined from the minimum that is lowest in energy leads to wrong temperature-dependent emission lifetimes predictions. Instead, we obtain excellent agreement with experimental temperature-dependent lifetimes when an extended kinetic model that includes all the pathways related to multiple Jahn–Teller isomers and their effective reaction barriers is employed. These concepts are essential to correctly design other luminescent transition metal complexes with tailored emission lifetimes based on theoretical predictions.