Pronounced Surface Band Bending of Thin-Film Silicon Revealed by Modeling Core Levels Probed with Hard X-rays.
Enhancing the probing depth of photoemission studies by using hard X-rays allows the investigation of buried interfaces of real-world device structures. However, it also requires the consideration of photoelectron-signal attenuation when evaluating surface effects. Here, we employ a computational model incorporating surface band bending and exponential photoelectron-signal attenuation to model depth-dependent spectral changes of Si 1s and Si 2s core level lines. The data were acquired from hydrogenated boron-doped microcrystalline thin-film silicon, which is applied in silicon-based solar cells. The core level spectra, measured by hard X-ray photoelectron spectroscopy using different excitation energies, reveal the presence of a 0.29 nm thick surface oxide layer. In the silicon film a downward surface band bending of eVbb = -0.65 eV over ∼6 nm obtained via inverse modeling explains the observed core level shifts and line broadening. Moreover, the computational model allows the extraction of the "real" Si 1s and Si 2s bulk core level binding energies as 1839.13 and 150.39 eV, and their natural Lorentzian line widths as 496 and 859 meV, respectively. These values significantly differ from those directly extracted from the measured spectra. Because band bending usually occurs at material surfaces we highly recommend the detailed consideration of signal integration over depth for quantitative statements from depth-dependent measurements.
David
D
Wippler
Renewable Energy, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Hahn-Meitner-Platz 1, D-14109 Berlin, Germany.|Energy Materials In-Situ Laboratory Berlin, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Albert-Einstein-Str. 15, D-12489 Berlin, Germany.
Regan G
RG
Wilks
Bart E
BE
Pieters
Sacha J
SJ
van Albada
Renewable Energy, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Hahn-Meitner-Platz 1, D-14109 Berlin, Germany.|MANA/Nano-Electronics Materials Unit, National Institute for Materials Science , 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan.
Dominic
D
Gerlach
Jürgen
J
Hüpkes
Renewable Energy, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Hahn-Meitner-Platz 1, D-14109 Berlin, Germany.|Energy Materials In-Situ Laboratory Berlin, Helmholtz-Zentrum Berlin für Materialien und Energie GmbH , Albert-Einstein-Str. 15, D-12489 Berlin, Germany.|Institut für Physik und Chemie, Brandenburgische TU Cottbus , Konrad-Wachsmann-Allee 1, D-03046 Cottbus, Germany.
Marcus
M
Bär
Uwe
U
Rau
bulk core level position; hard X-ray photoelectron spectroscopy (HAXPES); lifetime broadening; nondestructive depth profiling; surface oxide