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

Correlations in Nuclear Masses

It was recently suggested that the error with respect to experimental data in nuclear mass calculations is due to the presence of chaotic motion. The theory was tested by analyzing the typical error size. A more sensitive quantity, the correlations of the mass error between neighboring nuclei, is studied here. The results provide further support to this physical interpretation.Comment: 4 pages, 2 figure

The Coherent Crooks Equality

This chapter reviews an information theoretic approach to deriving quantum fluctuation theorems. When a thermal system is driven from equilibrium, random quantities of work are required or produced: the Crooks equality is a classical fluctuation theorem that quantifies the probabilities of these work fluctuations. The framework summarised here generalises the Crooks equality to the quantum regime by modeling not only the driven system but also the control system and energy supply that enables the system to be driven. As is reasonably common within the information theoretic approach but high unusual for fluctuation theorems, this framework explicitly accounts for the energy conservation using only time independent Hamiltonians. We focus on explicating a key result derived by Johan {\AA}berg: a Crooks-like equality for when the energy supply is allowed to exist in a superposition of energy eigenstates states.Comment: 11 pages, 3 figures; Chapter for the book "Thermodynamics in the Quantum Regime - Recent Progress and Outlook", eds. F. Binder, L. A. Correa, C. Gogolin, J. Anders and G. Adess

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

Correlation studies of fission fragment neutron multiplicities

We calculate neutron multiplicities from fission fragments with specified mass numbers for events having a specified total fragment kinetic energy. The shape evolution from the initial compound nucleus to the scission configurations is obtained with the Metropolis walk method on the five-dimensional potential-energy landscape, calculated with the macroscopic-microscopic method for the three-quadratic-surface shape family. Shape-dependent microscopic level densities are used to guide the random walk, to partition the intrinsic excitation energy between the two proto-fragments at scission, and to determine the spectrum of the neutrons evaporated from the fragments. The contributions to the total excitation energy of the resulting fragments from statistical excitation and shape distortion at scission is studied. Good agreement is obtained with available experimental data on neutron multiplicities in correlation with fission fragments from $^{235}$U(n$_{\rm th}$,f). At higher neutron energies a superlong fission mode appears which affects the dependence of the observables on the total fragment kinetic energy.Comment: 12 pages, 10 figure

Semiclassical Theory of Bardeen-Cooper-Schrieffer Pairing-Gap Fluctuations

Superfluidity and superconductivity are genuine many-body manifestations of quantum coherence. For finite-size systems the associated pairing gap fluctuates as a function of size or shape. We provide a parameter free theoretical description of pairing fluctuations in mesoscopic systems characterized by order/chaos dynamics. The theory accurately describes experimental observations of nuclear superfluidity (regular system), predicts universal fluctuations of superconductivity in small chaotic metallic grains, and provides a global analysis in ultracold Fermi gases.Comment: 4 pages, 2 figure

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