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• W17890228 abstract "In the context of photoelectron spectroscopy, the $GW$ approach has developed into the method of choice for computing excitation spectra of weakly correlated bulk systems and their surfaces. To employ the established computational schemes that have been developed for three-dimensional crystals, two-dimensional systems are typically treated in the repeated-slab approach. In this work we critically examine this approach and identify three important aspects for which the treatment of long-range screening in two dimensions differs from the bulk: (1) anisotropy of the macroscopic screening, (2) $mathbf{k}$-point sampling parallel to the surface, (3) periodic repetition and slab-slab interaction. For prototypical semiconductor (silicon) and ionic (NaCl) thin films we quantify the individual contributions of points (1) to (3) and develop robust and efficient correction schemes derived from the classic theory of dielectric screening." @default.
• W17890228 created "2016-06-24" @default.
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• W17890228 date "2008-06-19" @default.
• W17890228 modified "2023-09-30" @default.
• W17890228 title "Screening in two dimensions:<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>calculations for surfaces and thin films using the repeated-slab approach" @default.
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• W17890228 doi "https://doi.org/10.1103/physrevb.77.235428" @default.
• W17890228 hasPublicationYear "2008" @default.
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