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

doi:10.1088/0953-8984/20/35/355006

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 journal › Article › peer-review

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 language	English
Article number	355006
Number of pages	5
Journal	Journal of Physics: Condensed Matter
Volume	20
Issue number	35
DOIs	https://doi.org/10.1088/0953-8984/20/35/355006
Publication status	Published - 3 Sept 2008
Externally published	Yes

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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.",

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AU - Ozawa, Nobuki

AU - Roman, Tanglaw

AU - David, Melanie

AU - Kishi, Hirofumi

AU - Kasai, Hideaki

PY - 2008/9/3

Y1 - 2008/9/3

N2 - 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.

AB - 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.

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DO - 10.1088/0953-8984/20/35/355006

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

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