Reverse Monte Carlo Simulations in Liquid Chalcogens

抄録

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