Quasi-particle spectra, absorption spectra, and excitonic properties of sodium iodide and strontium iodide from many-body perturbation theory

We investigate the basic quantum mechanical processes behind non-proportional response of scintillators to incident radiation responsible for reduced resolution. For this purpose, we conduct a comparative first principles study of quasiparticle spectra on the basis of the $G_0W_0$ approximation as well as absorption spectra and excitonic properties by solving the Bethe-Salpeter equation for two important systems, NaI and SrI$_2$. The former is a standard scintillator material with well-documented non-proportionality while the latter has recently been found to exhibit a very proportional response. We predict band gaps for NaI and SrI$_2$ of 5.5 and 5.2 eV, respectively, in good agreement with experiment. Furthermore, we obtain binding energies for the groundstate excitons of 216 meV for NaI and 195$\pm$25 meV for SrI$_2$. We analyze the degree of exciton anisotropy and spatial extent by means of a coarse-grained electron-hole pair-correlation function. Thereby, it is shown that the excitons in NaI differ strongly from those in SrI$_2$ in terms of structure and symmetry, even if their binding energies are similar. Furthermore, we show that quite unexpectedly the spatial extents of the highly anisotropic low-energy excitons in SrI$_2$ in fact exceed those in NaI by a factor of two to three in terms of the full width at half maxima of the electron-hole pair-correlation function.Comment: 10 pages, 9 figure

The Cranked Nilsson-Strutinsky versus the Spherical Shell Model: A Comparative Study of pf-Shell Nuclei

A comparative study is performed of a deformed mean field theory, represented by the cranked Nilsson-Strutinsky (CNS) model, and the spherical shell model. Energy spectra, occupation numbers, B(E2)-values, and spectroscopic quadrupole moments in the light pf shell nuclei are calculated in the two models and compared. The result is also compared to available experimental data which are generally well described by the shell model. Although the Nilsson-Strutinsky calculation does not include pairing, both the subshell occupation numbers and quadrupole properties are found to be rather similar in the two models. It is also shown that ``unpaired'' shell model calculations produce very similar energies as the CNS at all spins. The role of the pairing energy in the description of backbending and signature splitting in odd-mass nuclei is also discussed.Comment: 14 pages, 20 figures, submitted to Phys.Rev.

Spreading widths of giant resonances in spherical nuclei: damped transient response

We propose the universal approach to describe spreading widths of monopole, dipole and quadrupole giant resonances in heavy and superheavy spherical nuclei. Our approach is based on the ideas of the random matrix distribution of the coupling between one-phonon and two-phonon states generated in the random phase approximation. We use the Skyrme interaction SLy4 as our model Hamiltonian to create a single-particle spectrum and to analyze excited states of the doubly magic nuclei $^{132}$Sn, $^{208}$Pb and $^{310}$126. Our results demonstrate that the universal approach enables to describe gross structure of the spreading widths of the considered giant resonances.Comment: 6 pages, 2 figure

Nuclear pairing and Coriolis effects in proton emitters

We introduce a Hartree-Fock-Bogoliubov mean-field approach to treat the problem of proton emission from a deformed nucleus. By substituting a rigid rotor in a particle-rotor-model with a mean-field we obtain a better description of experimental data in $^{141}$Ho. The approach also elucidates the softening of kinematic coupling between particle and collective rotation, the Coriolis attenuation problem.Comment: 2 pages, 1 figur

Adiabatic geometric phases in hydrogenlike atoms

We examine the effect of spin-orbit coupling on geometric phases in hydrogenlike atoms exposed to a slowly varying magnetic field. The marginal geometric phases associated with the orbital angular momentum and the intrinsic spin fulfill a sum rule that explicitly relates them to the corresponding geometric phase of the whole system. The marginal geometric phases in the Zeeman and Paschen-Back limit are analyzed. We point out the existence of nodal points in the marginal phases that may be detected by topological means.Comment: Clarifying material added, one figure removed, journal reference adde

Two-phonon structures for beta-decay theory

The $\beta$-decay rates of $^{60}$Ca have been studied within a microscopic model, which is based on the Skyrme interaction T45 to construct single-particle and phonon spaces. We observe a redistribution of the Gamow-Teller strength due to the phonon-phonon coupling, considered in the model. For $^{60}$Sc, the spin-parity of the ground state is found to be $1^+$. We predict that the half-life of $^{60}$Ca is 0.3 ms, while the total probability of the $\beta x n$ emission is 6.1%. Additionally, the random matrix theory has been applied to analyse the statistical properties of the $1^+$ spectrum populated in the $\beta$-decay to elucidate the obtained results.Comment: 4 pages, 1 figure, proceedings of International Conference on Nuclear Structure and Related Topics (NSRT18), June 3-9 2018, Burgas, Bulgari

Origin of resolution enhancement by co-doping of scintillators: Insight from electronic structure calculations

It was recently shown that the energy resolution of Ce-doped LaBr$_3$ scintillator radiation detectors can be crucially improved by co-doping with Sr, Ca, or Ba. Here we outline a mechanism for this enhancement on the basis of electronic structure calculations. We show that (i) Br vacancies are the primary electron traps during the initial stage of thermalization of hot carriers, prior to hole capture by Ce dopants; (ii) isolated Br vacancies are associated with deep levels; (iii) Sr doping increases the Br vacancy concentration by several orders of magnitude; (iv) $\text{Sr}_\text{La}$ binds to $V_\text{Br}$ resulting in a stable neutral complex; and (v) association with Sr causes the deep vacancy level to move toward the conduction band edge. The latter is essential for reducing the effective carrier density available for Auger quenching during thermalization of hot carriers. Subsequent de-trapping of electrons from $\text{Sr}_\text{La}-V_\text{La}$ complexes then can activate Ce dopants that have previously captured a hole leading to luminescence. This mechanism implies an overall reduction of Auger quenching of free carriers, which is expected to improve the linearity of the photon light yield with respect to the energy of incident electron or photon

Microscopic Origin of Quantum Chaos in Rotational Damping

The rotational spectrum of $^{168}$Yb is calculated diagonalizing different effective interactions within the basis of unperturbed rotational bands provided by the cranked shell model. A transition between order and chaos taking place in the energy region between 1 and 2 MeV above the yrast line is observed, associated with the onset of rotational damping. It can be related to the higher multipole components of the force acting among the unperturbed rotational bands.Comment: 7 pages, plain TEX, YITP/K-99