Modeling the reactive ion etching process for the CoO(001) surface via first principles calculations

Nobuki Ozawa, Tanglaw Roman, Melanie David, Hirofumi Kishi, Hideaki Kasai

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

Using first principles calculations with local density approximation (LDA) and LDA+U methods, we present a detailed theoretical study of reactive gas combinations (O2, N2, CH4, and CHF3) for the etching processes of CoO(001) surfaces. The calculation results show that the best possible gas combinations for the etching process contain CH 4. Despite differences in the intermediate state total energies predicted by the two methods, the favorable results in the final state lead to the same reaction products.

Original languageEnglish
Article number355006
JournalJournal of Physics Condensed Matter
Volume20
Issue number35
DOIs
Publication statusPublished - 2008 Sep 3
Externally publishedYes

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics

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