Interatomic Coulombic electron capture from first principles
نویسندگان
چکیده
منابع مشابه
Multi-coincidence spectroscopy on interatomic Coulombic decay
The inner-shell ionized states in matter are subject to Auger decay. Auger spectra are considered as fingerprint images of the atom where the inner-shell hole is created. About a decade ago, Cederbaum and coworkers [1] proposed a new mechanism of electronic decay where the environment plays a role. For an isolated atom or molecule with an innervalence vacancy, Auger decay is often energetically...
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We report the occurrence of interatomic Coulombic decay (ICD) in mixed NeKr clusters. A well-defined feature ranging from 9 to 12 eV in kinetic energy is observed in coincidence with the Ne 2s photoelectrons. It derives from an ICD process, in which an initial Ne 2s vacancy is filled by a Ne 2p electron and an electron is emitted from a 4p level on a neighboring Kr atom. We have studied the dep...
متن کاملPhoto- and auger-electron recoil induced dynamics of interatomic Coulombic decay.
At photon energies near the Ne K edge it is shown that for 1s ionization the Auger electron, and for 2s ionization the fast photoelectron, launch vibrational wave packets in a Ne dimer. These wave packets then decay by emission of a slow electron via interatomic Coulombic decay (ICD). The measured and computed ICD electron spectra are shown to be significantly modified by the recoil induced nuc...
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Effective interatomic potentials are frequently utilized for large-scale simulations of materials. In this work, we generate an effective interatomic potential, with Niobium as an example, using the force-matching method derived from a material database which is created by the first-principle molecular dynamics. It is found that the potentials constructed in the present work are more transferab...
متن کاملExperimental evidence for interatomic coulombic decay in Ne clusters.
Electron spectra of photoexcited Ne clusters are shown to display a signal at low kinetic energies that is neither present in the Ne monomer nor at photon energies below the inner-valence 2s threshold. These findings are strong evidence for the existence of interatomic Coulombic decays (ICD), a mechanism that was recently predicted theoretically [Phys. Rev. Lett. 79, 4778 (1997)]]. In ICD, an i...
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ژورنال
عنوان ژورنال: Physical Review A
سال: 2018
ISSN: 2469-9926,2469-9934
DOI: 10.1103/physreva.98.020701