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Updated: May 24, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Comparative study of vibrations in submonolayer structures of potassium on Pt(111)
G G Rusina1, S V Eremeev, S D Borisova
1Institute of Strength Physics and Materials Science SB RAS, Prospekt Academicheskii 2/4, Tomsk 634021, Russia.
Abstract:
We present results of a comparative study of the vibrational spectrum and local density of phonon states in ordered p(2 x 2) and (√3 x √3)R30° structures formed by potassium atoms on the Pt(111) surface. The calculations were performed with tight-binding interatomic interaction potentials. It was found that the mode associated with vertical displacements of K adatoms has an energy of about 20 meV in both K structures. The strength and energy of this mode slightly decreases with increasing coverage. This result is in good agreement with available experimental data. As in time-resolved second harmonic generation measurements, we observed low frequency modes for both structures considered, which are caused by the interaction of potassium with the second layer of the substrate.
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