Solid State Ionics, Vol.154, 285-289, 2002
Particle correlation in alpha-AgI
A computer simulation is performed to study the atomic spatial correlations, the maximum displacements and structure factors in alpha-AgI. It is found that there is a close connection between the particle correlation lambda(i,j)(i,j = I or Ag) and the pair distribution function. The structure factors S-I(k) and S-Ag(k) have peaks at (2,0,0), (1,1,0), (4,0,0), reflecting the bcc. lattice structure.
Keywords:particle correlation;maximum displacement;pair distribution function;structure factor;computer simulation;silver iodide;superionic conductor