研究目的
Investigating the vibrational properties and the correlation of surface vibrational eigenmodes to the atomic structure of the Pb/Si(111) (√3×√3) reconstructed SIC phase.
研究成果
The vibrational properties of the SIC phase of Pb on Si(111) (√3×√3) have been determined. Raman spectroscopy is used to detect surface vibrational Pb/Si interface modes representing unique experimental fingerprints of the atomic structure and chemical bonding. An overall assignment to microscopic surface modes has been achieved by comparison to respective ab initio calculations of the H3 and T4 adsorption geometries.
研究不足
The accuracy of the Raman calculations is limited due to the finite slab geometry and the assumption of nonresonant conditions. The assignment of Raman lines to surface phonon modes at the Brillouin zone center is strictly correct only in ideally periodic structures.
