Semiconductor-surface restoration by valence-mending adsorbates: Application to Si(100):S and Si(100):Se
- 15 March 1991
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 43 (8) , 6824-6827
- https://doi.org/10.1103/physrevb.43.6824
Abstract
A set of criteria is proposed for choosing adsorbates that can lead to restoration of the ideal bulk-terminated geometry on semiconductor surfaces. Two systems, Si(100):S and Si(100):Se, which are likely to fulfill the surface-restoration criteria are investigated in detail through first-principles calculations. These restored surfaces are energetically stable against structural changes such as embedding the adsorbates in subsurface sites.Keywords
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