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• W2060001909 abstract "The segregation of a hydrogen (H) atom to the monohydride diamond $mathrm{C}(100)2ifmmodetimeselsetexttimesfi{}1$ surface from the subsurface, which consists of two elementary processes of lateral migration in the subsurface and migration to the surface from the bulk, has been investigated by ab initio pseudopotential method. Since the activation energy barrier (AEB) for H migration in the subsurface perpendicular to dimer rows markedly decreases due to the presence of an H defect on the surface, it becomes an easy diffusion path and the diffusing H atoms tend to approach a position under a hollow site. The AEB for H migration to the surface from the bulk also markedly decreases due to the H defect on the surface. Thus, the H defect on the monohydride surface is easily repaired by H atoms from the subsurface, resulting in the suppression of methane adsorption and diamond epitaxial growth. The theoretical results support the experimental observations." @default.
• W2060001909 created "2016-06-24" @default.
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• W2060001909 date "2002-04-03" @default.
• W2060001909 modified "2023-09-23" @default.
• W2060001909 title "<i>Ab initio</i>study on surface segregation of hydrogen from diamond C(100) surfaces" @default.
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• W2060001909 doi "https://doi.org/10.1103/physrevb.65.153312" @default.
• W2060001909 hasPublicationYear "2002" @default.
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