Ab Initio Calculations of Absolute Surface Energies of Clean and Hydrogen Covered 3C-SiC(001), (110) and (111) Surfaces
2015 ◽
Vol 821-823
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pp. 363-366
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Keyword(s):
The absolute surface energies of three major low index surfaces of cubic silicon carbide (3C-SiC) are determined by first-principles density functional theory calculations. Calculations show that among clean 3C-SiC surfaces the Si-terminated 3C-SiC(001)-(3x2) surface has the lowest energy. The second and third lowest energy surfaces are the Si-terminated 3C-SiC(111)-(√3x√3) surface and the nonreconstructed 3C-SiC(110) surface. Hydrogen passivation greatly reduces both the absolute surface energies of the low index 3C-SiC surfaces and the surface energy anisotropy. In particular, the surface energies of fully passivated 3C-SiC(110) and (111) surfaces become indistinguishable at hydrogen-rich deposition conditions.
2014 ◽
Vol 626
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pp. 46-49
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2016 ◽
Vol 4
(29)
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pp. 11498-11506
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2017 ◽
Vol 19
(5)
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pp. 3679-3687
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2013 ◽
Vol 205-206
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pp. 417-421
2020 ◽
2019 ◽
Vol 7
(39)
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pp. 12306-12311
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2020 ◽
Vol 22
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pp. 100754
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