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Relativistic photoemission theory for general nonlocal potentials

C. Meyer·M. Potthoff·W. Nolting·G. Borstel·J. Braun
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Abstract

An improved formulation of the one-step model of photoemission from crystal surfaces is proposed which overcomes different limitations of the original theory. Considering the results of an electronic-structure calculation, the electronic (one-particle) potential and the (many-body) self-energy, as given quantities, we derive explicit expressions for the dipole transition-matrix elements. The theory is formulated within a spin-polarized, relativistic framework for general nonspherical and space-filling one-particle potentials and general nonlocal, complex and energy-dependent self-energies. It applies to semi-infinite lattices with perfect lateral translational invariance and arbitrary number of atoms per unit cell.

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C. Meyer, M. Potthoff, W. Nolting, G. Borstel, J. Braun. 1999-08-20. Relativistic photoemission theory for general nonlocal potentials. https://doi.org/10.1002/(sici)1521-3951(199912)216%3A2%3C1023%3A%3Aaid-pssb1023%3E3.0.co%3B2-c

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