Abstract
In theoretical calculation of ARXPS spectra, the plane wave Debye-Waller factor has been mostly used. However, recent theoretical researches have shown the importance of spherical wave Debye-Waller factor in ARXPS spectra. We calculated Ge 3 p ARXPS spectra of Ge(111) surface and studied the effects of the spherical wave Debye-Waller factor. The calculation using the spherical wave Debye-Waller factor explains temperature dependence of the ARXPS spectra. In particular, the spherical wave Debye-Waller factor explains the observed decrease of forward scattering intensity with increasing of temperature below the bulk melting temperature, where the plane wave approximation for the Debye-Waller factor fails to describe this phenomenon. We also estimated the mean square relative displacement around the temperature of high-temperature surface phase transition.
