High-resolution inner-shell photoionization of NO

Remmers, G.; Domke, M.; Puschmann, A.; Mandel, T.; Kaindl, G.; Hudson, Eric A.; Shirley, D. A.

doi:10.1016/0009-2614(93)90088-i

Cited by 35 publications

(82 citation statements)

References 13 publications

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“…The core excitation energies of the N*O states are in very good agreement with the experimental data of Remmers et al 36 and Kosugi et al 35 In the NO* excitation spectrum the vibrational structure cannot be resolved due to the larger lifetime energy width and the smaller vibrational frequency. Thus, the spectroscopic data of these states which were obtained by a fitting procedure to the core excitation spectra are much less accurate than those of the N*O states where the vibrational structure is clearly resolved in the experimental spectra.…”

Section: A Excitation Spectrasupporting

confidence: 71%

“…This is due to the fact that the 1s Ϫ1 2 2 configuration of the core excited states gives rise to four electronic states ͑ 4 ⌺ Ϫ , 2 ⌺ Ϫ , 2 ⌬, and 2 ⌺ ϩ ͒. 37 The three doublet states which are reached preferentially by photoexcitation 13,35,36 and by grazing incidence EELS 33,34 are observed as overlapping vibrational progressions in these spectra. The AIS of the core excited NO molecule were studied by electron-electron coincidence techniques with low resolution of the excitation energy 7,10 and recently with better resolved excitation energies that could be achieved by using synchrotron radiation.…”

Section: Introductionmentioning

confidence: 92%

“…7,10,13 Furthermore, the core excitation spectra of NO are experimentally well investigated by several groups. 13,[33][34][35][36] It was found that the 1s→2 excitation spectra have an exceptionally detailed structure. This is due to the fact that the 1s Ϫ1 2 2 configuration of the core excited states gives rise to four electronic states ͑ 4 ⌺ Ϫ , 2 ⌺ Ϫ , 2 ⌬, and 2 ⌺ ϩ ͒.…”

Section: Introductionmentioning

confidence: 99%

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A theoretical simulation of the 1s→2π excitation and deexcitation spectra of the NO molecule

Fink

1997

The Journal of Chemical Physics

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We present ab initio calculations for the N and O 1s→2π photoexcitation spectra and the deexcitation electron spectra which result in the decay of these core excited states. The photoexcitation spectra are simulated with potential energy curves and transition dipole moments calculated with the multiconfiguration coupled electron pair approximation method. The energy lifetime width of the core excited states, which influences the form of these excitation spectra via the broadening of the vibrational progressions, was calculated by the one center approximation. The theoretical spectra are compared to recent experimental data. The deexcitation electron spectra, which monitor the autoionization of the core excited states, are reproduced by a combination of valence configuration interaction calculations to obtain the relative energies and the one center approximation which yields decay rates to the singly charged final states. Furthermore, we included lifetime vibrational interference effects using the recently proposed moment method of Cederbaum and Tarantelli [J. Chem. Phys. 98, 9691 (1993)]. The calculated deexcitation spectra compare extremely favorably with experimental data.

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Section: A Excitation Spectrasupporting

confidence: 71%

Section: Introductionmentioning

confidence: 92%

Section: Introductionmentioning

confidence: 99%

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A theoretical simulation of the 1s→2π excitation and deexcitation spectra of the NO molecule

Fink

1997

The Journal of Chemical Physics

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“…[12][13][14][15]. It has a full width at half maximum of approximately one electron volt, displaying structure attributed to vibrational progressions of these three core excited states [13][14][15]. These core excited states of NO have been calculated previously [16,17].…”

Section: Stimulated Resonant Raman Transitions Near the Nitrogen mentioning

confidence: 82%

“…These core hole states are nearly isoenergetic; a single structured peak in the photoionization cross section centered at 400eV photon energy is observed in the experiments of Refs. [12][13][14][15]. It has a full width at half maximum of approximately one electron volt, displaying structure attributed to vibrational progressions of these three core excited states [13][14][15].…”

Section: Stimulated Resonant Raman Transitions Near the Nitrogen mentioning

confidence: 99%

Ultrafast population transfer to excited valence levels of a molecule driven by x-ray pulses

Haxton

McCurdy

2014

Phys. Rev. A

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First-principles quantum mechanical calculations of an intense-field ultrafast two-color core hole stimulated Raman process in nitric oxide are presented. They employ the Multiconfiguration TimeDependent Hartree-Fock (MCTDHF) method with all 15 electrons active. These calculations demonstrate a robust excitation localized on an atom through a core-electron stimulated Raman transition, the first step in proposed stimulated X-ray Raman spectroscopy experiments. A total population transfer of approximately 41% into valence excited states and 30% ionization is obtained via two concurrent 1.31fs pulses of maximum intensity 0.5 and 3 ×10 17 W cm −2 . It is found that both resonant and nonresonant (via the continuum) Raman transitions contribute. All aspects of these calculations except for AC stark shifts are converged with a modest basis of 11 orbitals, demonstrating the efficiency of MCTDHF for the treatment of nonperturbative electronic dynamics in molecules.

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Chemical nature of N‐ions incorporated into epitaxial ZnO films

Hoffmann

Pettenkofer

2011

Physica Status Solidi (b)

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Efficient p-type doping of zinc oxide (ZnO) is hindered on the one hand by the strong native n-type doping of the ZnO, on the other hand, compensation effects (defect generation due to pdoping) tend to preserve the n-type doping. Incorporation of nitrogen is proposed as a promising method to achieve p-type ZnO, because the ionic radii of nitrogen and oxygen are comparable. Therefore, nitrogen atoms can replace oxygen. Nevertheless, a reliable and stable p-doping is still an unmatched challenge. This work will focus on the chemical nature of nitrogen implanted by ion irradiation into metalorganic MBE grown ZnO layers on sapphire substrate. The incorporated nitrogen was investigated by photoelectron spectroscopy using synchrotron radiation (PES) and monochromatised Al Ka (mXPS), and near edge X-ray absorption spectroscopy (NEXAFS). The preparation conditions were varied for preferential incorporation of the different nitrogen species. The three main N1s-PES components were assigned to different nitrogen compounds (molecular N 2 , N-O bonds and N-Zn bonds) with the help of NEXAFS data. In addition, the thermal stability of the nitrogen compounds were investigated. These results may lead to an optimisation of the nitrogen implantation process for a better doping efficiency.

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High-resolution inner-shell photoionization of NO

Cited by 35 publications

References 13 publications

A theoretical simulation of the 1s→2π excitation and deexcitation spectra of the NO molecule

A theoretical simulation of the 1s→2π excitation and deexcitation spectra of the NO molecule

Ultrafast population transfer to excited valence levels of a molecule driven by x-ray pulses

Chemical nature of N‐ions incorporated into epitaxial ZnO films

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