{"article_type":"original","quality_controlled":"1","abstract":[{"text":"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) 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.","lang":"eng"}],"publication_status":"published","date_updated":"2022-11-11T06:48:18Z","intvolume":"        77","publication_identifier":{"issn":["1098-0121"],"eissn":["1550-235X"]},"title":"Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach","external_id":{"arxiv":["0801.1714"],"isi":["000257289500118"]},"article_number":"235428","publisher":"American Physical Society","user_id":"458","department":[{"_id":"296"}],"status":"public","author":[{"first_name":"Christoph","last_name":"Freysoldt","full_name":"Freysoldt, Christoph"},{"full_name":"Eggert, Philipp","last_name":"Eggert","first_name":"Philipp"},{"full_name":"Rinke, Patrick","last_name":"Rinke","first_name":"Patrick"},{"id":"458","first_name":"Arno","last_name":"Schindlmayr","orcid":"0000-0002-4855-071X","full_name":"Schindlmayr, Arno"},{"full_name":"Scheffler, Matthias","last_name":"Scheffler","first_name":"Matthias"}],"oa":"1","language":[{"iso":"eng"}],"doi":"10.1103/PhysRevB.77.235428","file":[{"content_type":"application/pdf","relation":"main_file","date_created":"2020-08-28T11:51:42Z","file_id":"18565","date_updated":"2020-08-30T15:32:46Z","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","file_name":"PhysRevB.77.235428.pdf","creator":"schindlm","file_size":286723,"access_level":"open_access","title":"Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach"}],"date_created":"2020-08-28T11:50:14Z","license":"https://creativecommons.org/licenses/by/3.0/","volume":77,"type":"journal_article","has_accepted_license":"1","_id":"18564","citation":{"ieee":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, and M. Scheffler, “Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach,” <i>Physical Review B</i>, vol. 77, no. 23, Art. no. 235428, 2008, doi: <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>.","mla":"Freysoldt, Christoph, et al. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” <i>Physical Review B</i>, vol. 77, no. 23, 235428, American Physical Society, 2008, doi:<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>.","bibtex":"@article{Freysoldt_Eggert_Rinke_Schindlmayr_Scheffler_2008, title={Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach}, volume={77}, DOI={<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>}, number={23235428}, journal={Physical Review B}, publisher={American Physical Society}, author={Freysoldt, Christoph and Eggert, Philipp and Rinke, Patrick and Schindlmayr, Arno and Scheffler, Matthias}, year={2008} }","short":"C. Freysoldt, P. Eggert, P. Rinke, A. Schindlmayr, M. Scheffler, Physical Review B 77 (2008).","chicago":"Freysoldt, Christoph, Philipp Eggert, Patrick Rinke, Arno Schindlmayr, and Matthias Scheffler. “Screening in Two Dimensions: GW Calculations for Surfaces and Thin Films Using the Repeated-Slab Approach.” <i>Physical Review B</i> 77, no. 23 (2008). <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">https://doi.org/10.1103/PhysRevB.77.235428</a>.","apa":"Freysoldt, C., Eggert, P., Rinke, P., Schindlmayr, A., &#38; Scheffler, M. (2008). Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. <i>Physical Review B</i>, <i>77</i>(23), Article 235428. <a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">https://doi.org/10.1103/PhysRevB.77.235428</a>","ama":"Freysoldt C, Eggert P, Rinke P, Schindlmayr A, Scheffler M. Screening in two dimensions: GW calculations for surfaces and thin films using the repeated-slab approach. <i>Physical Review B</i>. 2008;77(23). doi:<a href=\"https://doi.org/10.1103/PhysRevB.77.235428\">10.1103/PhysRevB.77.235428</a>"},"year":"2008","ddc":["530"],"file_date_updated":"2020-08-30T15:32:46Z","issue":"23","isi":"1","publication":"Physical Review B"}