Reconstruction-induced mean-square displacements on the (001)-(2×1) surface of diamond-structure crystals

Ohkuma, Kazuyuki; Nakamura, Kanna

doi:10.1088/0022-3719/12/22/003

Cited by 8 publications

(2 citation statements)

References 11 publications

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“…In desorption, the system starts out with a relaxed lattice which should also have a lower Debye temperature than the clean surface. Calculations show that the vibrational amplitude of the Si(100) dimer atoms is sensitive to the strength of the coupling in the dimer bond [33].…”

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confidence: 99%

Hydrogen adsorption on and desorption from Si: Considerations on the applicability of detailed balance

et al. 1994

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The translational energy of Dz desorbed from Si(100) and Si(111) surfaces was measured and found roughly equal to the thermal expectation at the surface temperature T,. Combining these results with previously measured internal state distributions, the total energy of the desorbed molecules is approximately equal to the equilibrium expectation at T,. Thus adsorption experiments, which suggest a large energetic barrier, are at variance with desorption experiments, which exhibit a trivial adsorption barrier, and the applicability of detailed balance for this system needs to be reexamined.

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mentioning

confidence: 99%

Hydrogen adsorption on and desorption from Si: Considerations on the applicability of detailed balance

et al. 1994

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“…Additionally, Ohkuma and Nakamura 33 have shown that surface reconstruction of diamond-structure crystals can suppress the perpendicular MSD, causing an even larger deviation between the two values. As shown by Figure 3, the perpendicular MSD for CH 3 -Ge(111) is approximately four times larger than that of (1.0 ± 0.1) × 10 −5 Å 2 K −1 for CH 3 -Si(111).…”

Section: A Vibrational Dynamicsmentioning

confidence: 99%

Vibrational dynamics and band structure of methyl-terminated Ge(111)

Hund

Nihill

Campi

et al. 2015

The Journal of Chemical Physics

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Articles you may be interested inThe interaction of organic adsorbate vibrations with substrate lattice waves in methyl-Si (111) A combined synthesis, experiment, and theory approach, using elastic and inelastic helium atom scattering along with ab initio density functional perturbation theory, has been used to investigate the vibrational dynamics and band structure of a recently synthesized organic-functionalized semiconductor interface. Specifically, the thermal properties and lattice dynamics of the underlying Ge (111) semiconductor crystal in the presence of a commensurate (1 × 1) methyl adlayer were defined for atomically flat methylated Ge (111) surfaces. The mean-square atomic displacements were evaluated by analysis of the thermal attenuation of the elastic He diffraction intensities using the Debye-Waller model, revealing an interface with hybrid characteristics. The methyl adlayer vibrational modes are coupled with the Ge(111) substrate, resulting in significantly softer in-plane motion relative to rigid motion in the surface normal. Inelastic helium time-of-flight measurements revealed the excitations of the Rayleigh wave across the surface Brillouin zone, and such measurements were in agreement with the dispersion curves that were produced using density functional perturbation theory. The dispersion relations for H-Ge(111) indicated that a deviation in energy and lineshape for the Rayleigh wave was present along the nearest-neighbor direction. The effects of mass loading, as determined by calculations for CD 3 -Ge(111), as well as by force constants, were less significant than the hybridization between the Rayleigh wave and methyl adlayer librations. The presence of mutually similar hybridization effects for CH 3 -Ge(111) and CH 3 -Si(111) surfaces extends the understanding of the relationship between the vibrational dynamics and the band structure of various semiconductor surfaces that have been functionalized with organic overlayers. C 2015 AIP Publishing LLC.[http://dx

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