{"article_number":"453125","doi":"10.1155/2015/453125","file":[{"date_created":"2020-08-28T09:42:44Z","description":"Creative Commons Attribution 3.0 Unported Public License (CC BY 3.0)","creator":"schindlm","access_level":"open_access","content_type":"application/pdf","title":"Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon","relation":"main_file","file_id":"18540","date_updated":"2020-08-30T14:45:29Z","file_size":560248,"file_name":"453125.pdf"}],"ddc":["530"],"isi":"1","publication_status":"published","file_date_updated":"2020-08-30T14:45:29Z","date_created":"2020-08-27T20:45:37Z","has_accepted_license":"1","abstract":[{"text":"Using ab initio computational methods, we study the structural and electronic properties of strained silicon, which has emerged as a promising technology to improve the performance of silicon-based metal-oxide-semiconductor field-effect transistors. In particular, higher electron mobilities are observed in n-doped samples with monoclinic strain along the [110] direction, and experimental evidence relates this to changes in the effective mass as well as the scattering rates. To assess the relative importance of these two factors, we combine density-functional theory in the local-density approximation with the GW approximation for the electronic self-energy and investigate the effect of uniaxial and biaxial strains along the [110] direction on the structural and electronic properties of Si. Longitudinal and transverse components of the electron effective mass as a function of the strain are derived from fits to the quasiparticle band structure and a diagonalization of the full effective-mass tensor. The changes in the effective masses and the energy splitting of the conduction-band valleys for uniaxial and biaxial strains as well as their impact on the electron mobility are analyzed. The self-energy corrections within GW lead to band gaps in excellent agreement with experimental measurements and slightly larger effective masses than in the local-density approximation.","lang":"eng"}],"oa":"1","quality_controlled":"1","publication":"Advances in Condensed Matter Physics","date_updated":"2022-02-04T13:41:37Z","type":"journal_article","article_type":"original","language":[{"iso":"eng"}],"license":"https://creativecommons.org/licenses/by/3.0/","volume":2015,"publication_identifier":{"issn":["1687-8108"],"eissn":["1687-8124"]},"department":[{"_id":"296"}],"_id":"18470","title":"Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon","citation":{"bibtex":"@article{Bouhassoune_Schindlmayr_2015, title={Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon}, volume={2015}, DOI={<a href=\"https://doi.org/10.1155/2015/453125\">10.1155/2015/453125</a>}, number={453125}, journal={Advances in Condensed Matter Physics}, publisher={Hindawi}, author={Bouhassoune, Mohammed and Schindlmayr, Arno}, year={2015} }","short":"M. Bouhassoune, A. Schindlmayr, Advances in Condensed Matter Physics 2015 (2015).","chicago":"Bouhassoune, Mohammed, and Arno Schindlmayr. “Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon.” <i>Advances in Condensed Matter Physics</i> 2015 (2015). <a href=\"https://doi.org/10.1155/2015/453125\">https://doi.org/10.1155/2015/453125</a>.","ama":"Bouhassoune M, Schindlmayr A. Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon. <i>Advances in Condensed Matter Physics</i>. 2015;2015. doi:<a href=\"https://doi.org/10.1155/2015/453125\">10.1155/2015/453125</a>","mla":"Bouhassoune, Mohammed, and Arno Schindlmayr. “Ab Initio Study of Strain Effects on the Quasiparticle Bands and Effective Masses in Silicon.” <i>Advances in Condensed Matter Physics</i>, vol. 2015, 453125, Hindawi, 2015, doi:<a href=\"https://doi.org/10.1155/2015/453125\">10.1155/2015/453125</a>.","ieee":"M. Bouhassoune and A. Schindlmayr, “Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon,” <i>Advances in Condensed Matter Physics</i>, vol. 2015, Art. no. 453125, 2015, doi: <a href=\"https://doi.org/10.1155/2015/453125\">10.1155/2015/453125</a>.","apa":"Bouhassoune, M., &#38; Schindlmayr, A. (2015). Ab initio study of strain effects on the quasiparticle bands and effective masses in silicon. <i>Advances in Condensed Matter Physics</i>, <i>2015</i>, Article 453125. <a href=\"https://doi.org/10.1155/2015/453125\">https://doi.org/10.1155/2015/453125</a>"},"user_id":"458","external_id":{"isi":["000350656500001"]},"year":"2015","intvolume":"      2015","status":"public","publisher":"Hindawi","author":[{"last_name":"Bouhassoune","full_name":"Bouhassoune, Mohammed","first_name":"Mohammed"},{"last_name":"Schindlmayr","id":"458","full_name":"Schindlmayr, Arno","orcid":"0000-0002-4855-071X","first_name":"Arno"}]}