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Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach
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10.1063/1.4772654
/content/aip/journal/jcp/138/1/10.1063/1.4772654
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/1/10.1063/1.4772654

Figures

Image of FIG. 1.
FIG. 1.

The total system is split into subsystems S 1 and S 2 . The R i (i = 1, 2) point to the corresponding centers of mass (COMs) with respect to an arbitrary origin O. The x i as well as the r i describe the electron coordinates once with respect to O and once with respect to the COMs.

Image of FIG. 2.
FIG. 2.

ICD process in subsystems S 1 and S 2 . After creating an inner valence vacancy in S 1 the hole is filled by an outer-valance electron of S 1 . The excess energy is transferred to S 2 and is used to remove an outer-valence electron (ICD electron).

Image of FIG. 3.
FIG. 3.

ETMD3 process in subsystems S 1 and S 2 where the two atoms A and B participate in the electron transfer and are combined to S 1 . After inner valence ionization of A, the vacancy is filled by an electron from B in S 1 . The energy is transferred to C (S 2 ) which is ionized and hereby emits the ETMD electron.

Image of FIG. 4.
FIG. 4.

Jacobi coordinates used for the geometric description of the trimer. Q is the distance between A and B, R the distance from the center of mass of AB to C and α the angle between the lines represented by Q and R.

Image of FIG. 5.
FIG. 5.

Model system for the electronic decay processes: Argon atom on a xenon surface either located in a fcc (left) or hcp position (right).

Image of FIG. 6.
FIG. 6.

Final state energies of the Ar+/Xe+ fragment occurring after ICD for the possible total angular momenta. The intersections with the horizontal line representing the potential energy curve of the Ar (3s −1) initial state are the thresholds for the opening of the different ICD channels. These thresholds exhibit a significant dependence on the total angular momenta of the corresponding ions. For comparison the nonrelativistic final state is also shown leading to just one intersection point.

Image of FIG. 7.
FIG. 7.

Comparison of the relativistic and nonrelativistic ICD decay rates in the cluster model. The inset shows the relativistic and nonrelativistic ICD electron spectra for some pair in the cluster at a distance of R = 10.59 Å. The two relativistic peaks refer to the and channels. The other two are energetically not accessible. The nonrelativistic spectrum shows only one peak corresponding to the channel. To guide the eye of the reader we convoluted the spectra with Gaussian functions with FWHM of 0.3 eV (see text for discussion).

Image of FIG. 8.
FIG. 8.

Comparison of the relativistic and nonrelativistic ETMD decay rates in the cluster. To guide the eye of the reader we convoluted the spectra with Gaussian functions with FWHM of 0.6 eV (see text for discussion).

Image of FIG. 9.
FIG. 9.

Comparison of the relativistic and nonrelativistic ICD and ETMD decay widths. Note that the nonrelativistic spectrum shows clearly separated ICD and ETMD features. Taking into account the spin-orbit coupling leads to the appearance of a significant overlap between the peaks.

Tables

Generic image for table
Table I.

Experimental single ionization energies (SIP) for the Ar and Xe atoms and their shifts Δ in homonuclear clusters.

Generic image for table
Table II.

Atomic parameters required for the calculation of ICD decay rates according to Eq. (18) . See text for the calculation of . The lifetimes and ionization cross sections for the spin-coupled case were taken from Refs. 50–52 , respectively.

Generic image for table
Table III.

Atomic and molecular parameters required for the calculation of the ETMD decay rates according to Eq. (21) . See text for the calculation of the and the transition dipole moments. The remaining parameters are again taken from the literature. 49–54

Generic image for table
Table IV.

Total decay widths and lifetimes of the ICD process.

Generic image for table
Table V.

Total decay widths and lifetimes of the ETMD process.

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/content/aip/journal/jcp/138/1/10.1063/1.4772654
2013-01-03
2014-04-20
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752b84549af89a08dbdd7fdb8b9568b5 journal.articlezxybnytfddd
Scitation: Interatomic decay of inner-valence ionized states in ArXe clusters: Relativistic approach
http://aip.metastore.ingenta.com/content/aip/journal/jcp/138/1/10.1063/1.4772654
10.1063/1.4772654
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