Simple master equation for the description of charge transfer in atomâsurface scattering

Dutta, C. M.; Nordlander, Peter

doi:10.1016/s0079-6816(01)00021-1

Cited by 5 publications

(9 citation statements)

References 14 publications

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“…A drawback of the projection operators is that they are not suitable for a diagrammatic treatment which on the other hand is a powerful tool to set up quantum-kinetic equations. To remedy this drawback we now employ a pseudo-particle approach to express the Hamiltonian (8) in terms of slave fields 5,[29][30][31][32][33] . The starting point for this procedure is the completeness condition,…”

Section: Pseudo-particle Representationmentioning

confidence: 99%

“…Similar to what Langreth and coworkers did in the context of the neutralization of atomic ions 5,31 we have thus reduced a complicated set of Dyson equations -Eqs. ( 28) and ( 30) describing the de-excitation of a metastable molecule via the simultaneous action of the RCT channel (1) and the Auger channel (2) -to an easy to handle system of rate equations (33). The reaction rates (34) entering the rate equations are linked to quantum-kinetic quantities and thus related to the semi-empirical model.…”

Section: Semi-classical Approximationmentioning

confidence: 99%

“…We will now seek an analytic solution to the coupled rate equations (33). As a starting point we first take a step back and consider the isolated decay channels of resonant electron capture, resonant electron emission, and Auger de-excitation.…”

Section: Semi-classical Approximationmentioning

confidence: 99%

“…As a starting point we first take a step back and consider the isolated decay channels of resonant electron capture, resonant electron emission, and Auger de-excitation. Singling out the individual reactions in (33) we obtain dn…”

Section: Semi-classical Approximationmentioning

confidence: 99%

“…The strength and flexibility of the pseudo-particle or slave field approach, originally developed by Coleman 29 in the context of the infinite-U Anderson Hamiltonian, has been demonstrated many times for Anderson-type and Anderson-Newns-type models 5,[30][31][32][33] . We apply this method to a generalized Anderson-Newns model describing the coupling of different molecular configurations to a solid.…”

Section: Introductionmentioning

confidence: 99%

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Pseudoparticle approach for charge-transferring molecule-surface collisions

2012

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Based on a semi-empirical generalized Anderson-Newns model we construct a pseudo-particle description for electron emission due to de-excitation of metastable molecules at surfaces. The pseudo-particle approach allows us to treat resonant charge-transfer and Auger processes on an equal footing, as it is necessary when both channels are open. This is for instance the case when a metastable N2( 3 Σ + u ) molecule hits a diamond surface. Using non-equilibrium Green functions and physically motivated approximations to the self-energies of the Dyson equations we derive a system of rate equations for the probabilities with which the metastable N2( 3 Σ + u ) molecule, the molecular ground state N2( 1 Σ + g ), and the negative ion N − 2 ( 2 Πg) can be found in the course of the scattering event. From the rate equations we also obtain the spectrum of the emitted electron and the secondary electron emission coefficient. Our numerical results indicate the resonant tunneling process undermining the source of the Auger channel which therefore contributes only a few percent to the secondary electron emission.

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