Electron Charge Distribution in Liquid Te

抄録

The structure factors of liquid Te at 470°C and 570°C 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 470°C and 570°C. The obtained electron charge distribution function shows two peaks at the distance around 0.80 Å and 1.70 Å just above the melting temperature of 470°C, 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 570°C, a single peak is observed at the distance around 1.1 Å in the electron charge distribution function.