Surface core-level shifts on Ge(111)c(2 x 8) : Experiment and theory

• Combining high-resolution photoelectron spectroscopy and density functional theory (DFT) calculations, 3d photoemission line shape and surface core-level shifts have been reinvestigated on the Ge(111)c(2 x 8) surface. It is found that 3d spectra include, in addition to the bulk and three surface-shifted components reported in literature, a component that was not identified in earlier measurements with a lower resolution. The detailed interpretation of these spectra and their line shape is made on the basis of DFT calculations. It is shown that the lowest binding energy component is due to the rest atoms. The higher binding energy emission is caused by the adatoms and the third-layer atoms that are below the adatoms. Finally, the two other surface components originate from the first- and second-layer atoms. The screening effects in the Ge(111)c(2 x 8) are discussed.

Ämnesord

NATURVETENSKAP  -- Fysik -- Den kondenserade materiens fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences -- Condensed Matter Physics (hsv//eng)

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

INITIO MOLECULAR-DYNAMICS

TOTAL-ENERGY CALCULATIONS

AUGMENTED-WAVE METHOD

BASIS-SET

PHOTOEMISSION

GE(111)-C(2X8)

RECONSTRUCTION

SPECTROSCOPY

DIFFRACTION

TRANSITION

Condensed matter physics

Kondenserade materiens fysik

NATURAL SCIENCES

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