Theoretical and experimental investigation of Electron Transfer Mediated Decay in ArKr clusters

Abstract

We investigate the electronic decay of an Ar 3s −1 vacancy in medium sized ArKr clusters. The only energetically accessible, radiationless decay mechanism is Electron Transfer Mediated Decay Three (ETMD3). Here, the argon vacancy is lled by an electron from one krypton atom, and the excess energy is transferred to a second krypton atom which consequently emits an electron. For the theoretical calculation of ETMD3 spectra, in a bottom-up approach, we study the dependence of the decay width on the geometry of elementary sets of three atoms, from which any cluster can be composed. We simulate the ETMD3 spectra of medium sized ArKr clusters and compare

Interatomic and Intermolecular Coulombic Decay

“…For mixed rare gas systems, efficiencies of (or close to) 100%, within the experimental uncertainty, were also found for excited states that may decay by ICD and ETMD, or solely by ETMD. 223 , 283 …”

“…The theoretical formalism used for analysis of the NeAr ICD spectra ( Figure 31 ) was extended to also cover ETMD, and its application to the ArKr decay led to a good agreement with experiment. 283 …”

Ultrafast temporal evolution of interatomic Coulombic decay in NeKr dimers

“…1(a)]. Decay to Ne-Kr ++ states is often called the electron transfer mediated decay (ETMD) channel (see, e.g., [50,51]). In NeKr dimers, the direct population of these states via the ETMD process is suppressed by concurrent ICD.…”

Three-electron dynamics of the interparticle Coulombic decay with two-dimensional continuum confinement

“…In the past years it was found that the related electron-transfer mediated decay process of three atoms depends on their exact constellation. 56 We assume the same for ICD. Therefore, we consider in this study systems of three binding sites with a two-dimensional continuum and a two-dimensional conformation space for their arrangement.…”