Ex) Article Title, Author, Keywords
J. Korean Phy. Soc. 2011; 59(5(1)): 3284-3288
Published online November 15, 2011 https://doi.org/10.3938/jkps.59.3284
Copyright © The Korean Physical Society.
Bong Hyun Boo, Dong Eun Kang
We have grown thin films of GaN on a Si(111) substrate directly and by using a Si3N4 buffer layer. In an effortto analyze the surfaces of the thin films, we have measured AFM micrographs of the thin films of GaN/Si(111)and GaN/Si3N4/Si(111). The roughness of the GaN/Si3N4/Si(111) thin film is found to be 28.0 ¡¾ 5.3 nm, beingslightly smaller than that of the GaN/Si(111) thin film (31.9 ¡¾ 6.1 nm). This indicates that the surface of theGaN/Si3N4/Si(111) is slightly denser and more flat than that of GaN/Si(111) thin film. Ab initio and DFT studieswere performed to predict stable clusters which are responsible for the formation of thin films of GaN. We haveoptimized various conformers of Ga2N2 by using the B3LYP/6-31G(d) method and then performed single pointcalculations by using B3LYP/6-31G(d)// B3LYP/6-31G(d) and MP2/6-31G(d)//B3LYP/6-31G(d) methods in orderto estimate relative energies. The calculations indicate that the zigzag cluster is lowest in energy.
Keywords: Thin film, GaN, Si(111), Si3N4, PLAD, DFT, MP2
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