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Valence electron photoemission spectrum of semiconductors: Ab initio description of multiple satellites

AutorGuzzo, Matteo; Sottile, Francesco; Gatti, Matteo
Fecha de publicación2011
EditorAmerican Physical Society
CitaciónPhysical Review Letters 107(16): 166401 (2011)
ResumenThe experimental valence band photoemission spectrum of semiconductors exhibits multiple satellites that cannot be described by the GW approximation for the self-energy in the framework of many-body perturbation theory. Taking silicon as a prototypical example, we compare experimental high energy photoemission spectra with GW calculations and analyze the origin of the GW failure. We then propose an approximation to the functional differential equation that determines the exact one-body Green's function, whose solution has an exponential form. This yields a calculated spectrum, including cross sections, secondary electrons, and an estimate for extrinsic and interference effects, in excellent agreement with experiment. Our result can be recast as a dynamical vertex correction beyond GW, giving hints for further developments. © 2011 American Physical Society.
DescripciónPACS numbers: 71.45.Gm, 71.10. w, 71.15.Qe.-- et al.
Versión del editorhttp://dx.doi.org/10.1103/PhysRevLett.107.166401
Identificadoresdoi: 10.1103/PhysRevLett.107.166401
issn: 0031-9007
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