TY - JOUR
T1 - Modeling the reactive ion etching process for the CoO(001) surface via first principles calculations
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.
UR - http://www.scopus.com/inward/record.url?scp=56349088358&partnerID=8YFLogxK
U2 - 10.1088/0953-8984/20/35/355006
DO - 10.1088/0953-8984/20/35/355006
M3 - Article
AN - SCOPUS:56349088358
SN - 0953-8984
VL - 20
JO - Journal of Physics Condensed Matter
JF - Journal of Physics Condensed Matter
IS - 35
M1 - 355006
ER -