Journal
CURRENT APPLIED PHYSICS
Volume 12, Issue -, Pages S42-S46Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cap.2012.04.005
Keywords
Catalyst-referred etching; SiC; HF solution; First-principles reaction path simulations
Funding
- Global COE Program (Center of Excellence for Atomically Controlled Fabrication Technology)
- Program of Quantum Engineering Design Course (QEDC) from the Ministry of Education, Culture, Sports, Science and Technology (MEXT)
- Grants-in-Aid for Scientific Research [22560110] Funding Source: KAKEN
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We have carried out first-principles reaction path simulations of hydrogen fluoride (HF) adsorption at steps and terraces of 3C-silicon carbide (SiC) (111) surfaces to investigate initial processes in catalyst-referred etching (CARE). CARE is a novel abrasive-free planarization method and has been invented in our group. In SiC CARE, we use platinum as a catalyst and hydrofluoric acid (HF) solution as an etchant. A crystallographically undamaged and smooth SiC surface is obtained after CARE. In this study, we performed first-principles reaction path simulations using the Simulation Tool for Atom Technology (STATE) program package. Our results showed that the adsorption of HF molecules at step edges has lower activation barrier than that at terraces, and that HF adsorption at F-terminated surfaces is easier than that at OH-terminated surfaces. (c) 2012 Elsevier B.V. All rights reserved.
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