Dimer elongation on the monohydride-covered Ge/Si(100) surface

Bailes, A. A.; Boshart, M.A.; Seiberling, L. E.

doi:10.1016/s0039-6028(98)00405-1

Cited by 3 publications

(1 citation statement)

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“…Using transmission ion channeling, Bailes et al proposed an asymmetric dimer with length 2.60 Å. 32 For the Ge atom at the A site, we find that Ge dimer tilt angle is 18.40°, the bond length is 2.38 Å, and the vertical buckling is 0.79 Å. In going from site A to D, indicating Geinterdiffusion into the deeper layers, the buckling angle increases from 18.4°to 20.09°, while the dimer bond length decreases from 2.38 Å to 2.32 Å, as shown in Table III.…”

Section: And Inmentioning

confidence: 99%

Effect of hydrogenation on the adsorption ofGeonSi(001)

et al. 2001

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Ab initio calculations, based on pseudopotentials and density functional theory, have been performed to investigate the effect of hydrogenation on the atomic geometries and energetics of half-monolayer and fullmonolayer coverages of Ge on the Si͑001͒-(2ϫ1) surface. For the half-monolayer Ge coverage without hydrogenation, we find that the Ge-nondiffused case ͑i.e., the mixed Ge-Si dimer structure͒ is 0.25 eV/dimer energetically more favourable than the Ge-interdiffused case ͑i.e., intermixed Ge-Si bond structure͒, while for the hydrogenated surface both structures become almost equally favorable. For the full-monolayer coverage of Ge without surface hydrogenation the formation of a pure Ge-Ge dimer is energetically more favourable by 0.19Ϯ0.03 eV/dimer compared with the interdiffusion of Ge into any of the second, third, and fourth substrate layers. The process of surface hydrogenation makes both the nondiffused and interdiffused structures almost equally favorable. In all cases the effect of hydrogenation is to make the surface dimer symmetric and elongated.

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Section: And Inmentioning

confidence: 99%