Tuning the Work Function of Si(100) Surface by Halogen Absorption: A DFT Study

First‐principles calculations of work function tuning induced by different chemical terminations on Si(100) surface are presented and discussed. We find that the presence of halogen atoms (I, Br, Cl, and F) leads to an increase of the work function if compared to the fully hydrogenated surface. This...

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Veröffentlicht in:	Physica status solidi. C 2017-12, Vol.14 (12), p.n/a
Hauptverfasser:	Bertocchi, Matteo, Amato, Michele, Marri, Ivan, Ossicini, Stefano
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed Matter Crystal structure DFT Electronegativity First principles halogen Physics Si surface Tuning work function Work functions
Online-Zugang:	Volltext
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