Related papers: Partial Auger Decay Widths from Complex-Valued Den…
Auger decay is a relaxation process of core-vacant states in atoms and molecules, in which one valence electron fills the core vacancy while a second one is emitted. These states pose a challenge to electronic-structure theory, because they…
The emission of an Auger electron is the predominant relaxation mechanism of core-vacant states in molecules composed of light nuclei. In this non-radiative decay process, one valence electron fills the core vacancy while a second valence…
We report on the application of the recently developed Fano-ADC(2,2) method to compute total and partial Auger decay widths of molecular core-hole states, including explicit evaluation of double Auger decay branching ratios. The method…
We perform ab initio simulations of the total and partial Auger decay widths of 1s^-1, 2s^-1, and 2p^-1 ionized hydrogen sulfide and 2s^-1 ionized argon with non-Hermitian quantum chemistry. We use coupled cluster theory with single and…
In this contribution we present a protocol to evaluate partial and total Auger decay rates combining the restricted active space self-consistent field electronic structure method for the bound part of the spectrum and numerically obtained…
We model Auger spectra using second-order M\o ller-Plesset perturbation (MP2) theory combined with complex-scaled basis functions. For this purpose, we decompose the complex MP2 energy of the core-hole state into contributions from specific…
We report the first coupled-cluster study of Auger decay in heavy metals. The zinc atom is used as a case study due to its relevance to the Auger emission properties of the $^{67}$Ga radionuclide. Coupled-cluster theory combined with…
Vacancies in the L1 shell of atoms and molecules can decay non-radiatively via Coster-Kronig decay whereby the vacancy is filled by an electron from the L2,3 shell while a second electron is emitted into the ionization continuum. This…
We propose a computationally simple model of Auger and APECS line shapes from open-band solids. Part of the intensity comes from the decay of unscreened core-holes and is obtained by the two-body Green's function $G^{(2)}_{\omega}$, as in…
We present detailed theoretical and experimental studies of Auger recombination in narrow-gap mercury cadmium telluride quantum wells (HgCdTe QWs). We calculate the Auger recombination probabilities as functions of non-equilibrium carrier…
From a systematic study of the threshold current density as a function of temperature and hydrostatic pressure, in conjunction with theoretical analysis of the gain and threshold carrier density, we have determined the wavelength dependence…
An elaborate least-squares variational technique is proposed for obtaining improved continuum wavefunctions of Auger electrons emitted from arbitrary systems the electronic structures of which are determined via one of the computer codes…
Results of the most sophisticated measurements in coincidence of the angular resolved K-shell photo- and Auger-electrons, and of two atomic ions produced by dissociation of N2 molecule, are analyzed. Detection of photoelectrons at certain…
We study the feasibility of applying the Generator Coordinate Method (GCM) of self-consistent mean-field theory to calculate decay widths of composite particles to composite-particle final states. The main question is how well the GCM can…
The principal mechanisms of Auger recombination of nonequilibrium carriers in semiconductor heterostructures with quantum wells are investigated. It is shown for the first time that there exist three fundamentally different Auger…
The performance of modern light-emitting technologies, from lasers to LEDs, is limited by nonradiative losses, with Auger recombination being the dominant channel at device-relevant carrier densities. Reliable modeling of this process is…
We apply a three-dimensional (3D) approach to investigate the quasi-stationary states of well-deformed $\alpha$-emitters. With a splitting of the anisotropic 3D potential into internal and external parts at a separation surface, the 3D…
With an eye on plasma walls we investigate, within an effective model for the two active electrons involved in the process, secondary electron emission due to Auger de-excitation of metastable nitrogen $N_2(^3\sigma^+_u)$ molecules at…
Fano-ADC is a family of ab initio methods for prediction of electronic decay widths in excited, singly- and doubly-ionized systems. It has been particularly successful in elucidating the geometry dependence of the inter-atomic decay widths…
We propose a novel variational method to calculate the two-hole propagators relevant for Auger spectroscopy in transition metal oxides. This method can be thought of as an intermediary step between the full solution (which is difficult to…