Relationship between the short-range order and electrical resistivity in liquid indium-antimony

The composition dependencies of local structure and electronic structure, as well as the electric resistivity of liquid indium-antimony alloys have been investigated by the first-principles molecular dynamics simulations. It is shown that the variations of InIn, InSb and SbSb coordination tendency and the projected density of states of In and Sb in liquid InxSb1 − x depend on the Sb concentration, and electric resistivity of liquid indium-antimony also reveals a regular change trends as a function of Sb concentration. Further analysis confirmed that there are explicit relationships between the short range structural parameters and electrical resistivities in liquid InxSb1 − x.

► The composition dependence of short-range order in liquid InxSb1 − x was examined.
► The electrical resistivities of liquid InxSb1 − x were calculated.
► The electrical resistivity is related to the local structure in liquid InxSb1 − x.