REVERSE MONTE-CARLO SIMULATIONS IN LIQUID CHALCOGENS

Using neutron diffraction data for liquid Se and Te, the Reverse Monte Carlo simulations have been performed. For liquid Se at the temperatu res of 250-degrees-C and 350-degrees-C, the obtained structure mainly consists of two-fold coordinated chains, but about 30% of Se atoms hav e three-fold coordination and many Se3 triangles are observed. For liq uid Te a large number of Te atoms have three-fold coordination and the structure of liquid is network-like, which is very different from tha t of liquid Se.