Electron charge distribution in liquid Te

The structure factors of liquid Te at 470degC and 570degC have been newly obtained by X-ray and neutron diffraction. A remarkable and clear difference has been found between X-ray and neutron diffraction results. The ion-electron correlation function and valence electron distribution were evaluated from this difference at two temperatures of 470degC and 570degC. The obtained electron charge distribution function shows two peaks at the distance around 0.80 A and 1.70 A just above the melting temperature of 470degC, which corresponds to the distribution of the lone pair electrons and the covalent bonded electrons around a central tellurium ion, respectively. At higher temperature of 570degC, a single peak is observed at the distance around 1.1 A in the electron charge distribution function. (author)