Carbon 1s X-ray photoelectron spectra of realistic samples of hydrogen-terminated and oxygen-terminated CVD diamond (111) and (001)

Key factors in C 1s photoelectron spectroscopy for realistic samples of single crystal diamonds are remarked. Basic equations for angle-dependent photoelectron spectroscopy applied to single crystal diamond samples are described in Appendix A. Carbon 1s photoelectron spectroscopic works so far reported for hydrogen-terminated and oxygen-terminated diamond (001) and (111) samples were reviewed placing special attention on surface C 1s components with reference to the key factors. The results showed diversity in C 1s photoelectron spectra so far reported. We had three specific subjects of the study in C 1s XPS; the first is that we have reconfirmed the phenomenon that surface conductive layers resumed when smooth non-doped CVD C(111)-O samples were annealed in vacuum [Diam.Rela.Mate.18(2009)206]. A single C 1s XPS surface component was found for a smooth C(111)-O sample before the vacuum-anneal, which was attributed to surface carbon atoms in Csbnd Osbnd H bonding. The second subject is that dependence of C 1s XPS spectra on surface sensitivity has been measured for all the samples with different surface roughness of C(001)-O, C(111)-O, C(001)-H, and C(111)-H. The results were converted to the energy difference between the Fermi-level (Ef) and valence band maximum (Ev) on the probing depth from the surface. All the samples showed downward bending of Ev toward the surface. For the C(001)-H samples, this was a reconfirmation of previous work [Surf.Sci.604(2010)1148]. For the C(001)-H and C(111)-H samples, various degrees of downward band bending toward surface were observed and analyzed with two-dimensional band simulation. It was concluded that another source of holes such as shallow acceptors is present in a deeper region of the surface in addition to holes very close to surface caused by the charge-transfer-doping. The third subject is that C 1s XPS spectra for superconducting C(111)-O samples showed a lattice distortion of ~9 monolayers near the surface.