Journal
PHYSICAL REVIEW B
Volume 79, Issue 9, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.79.094109
Keywords
ab initio calculations; adhesion; compressive strength; elemental semiconductors; monolayers; silicon; silicon compounds; surface chemistry; surface reconstruction; wide band gap semiconductors
Funding
- Air Force Office of Scientific Research (USAFOSR) [FA9550-07-1-0126]
- MRSEC [DMR-0520527]
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We use ab initio calculations to demonstrate that adhesion of Si and SiC depends on the interplay between surface strain and chemistry. We discover that work of adhesion of Si depends linearly on surface strain. Compressive surface strain increases adhesion, which explains why bare Si-terminated SiC has larger adhesion than Si. However, with as little as one monolayer of oxygen coverage, adhesion of SiC becomes negligible while adhesion of Si remains finite irrespectively of the specific oxygen configuration. This effect is due to fundamental differences between reactivities of Si and SiC during the early stages of oxidation.
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