X-ray photoelectron spectroscopy studies of MgB2 for valence state of Mg

Core level X-ray photoelectron spectroscopy (XPS) studies have been carried out on polycrystalline MgB2 pellets over the whole binding energy range with a view to having an idea of the charge state of magnesium (Mg). We observe three distinct peaks in Mg 2p spectra at 49.3 eV (trace), 51.3 eV (major) and 54.0 eV (trace), corresponding to metallic Mg, MgB2 and MgCO3 or, divalent Mg species, respectively. Similar trend has been noticed in Mg 2s spectra. The binding energy of Mg in MgB2 is lower than that corresponding to Mg(2+), indicative of the fact that the charge state of Mg in MgB2 is less than (2+). Lowering of the formal charge of Mg promotes the σ → π electron transfer in boron (B) giving rise to holes on the top of the σ-band which are involved in coupling with B E2g phonons for superconductivity. Through this charge transfer, Mg plays a positive role in hole superconductivity. B 1s spectra consist of three peaks corresponding to MgB2, boron and B2O3. There is also evidence of MgO due to surface oxidation as seen from O 1s spectra.