M. Fieber-erdmann et al., Structural properties of Zn2-2x(CuIn)(x)S-2 (x <= 1) solid solution thin film obtained by EXAFS, J SYNCHROTR, 6, 1999, pp. 474-476
For the solid solution system Zn2-2x(CuIn)(x)S-2 XRD measurements revealed
an increase of the cell volume as a function of alloying parameter x, but d
id not provide selective information about the geometric structure. Therefo
re, EXAFS measurements were performed on thin films of Zn2-2x(CuIn)(x)S-2 a
t the K shells of the metal ions In, Cu and Zn. Three bond lengths correspo
nding to the nearest neighbour metal-sulfur distances were identified. Thes
e bond lengths remain nearly constant over the whole composition range of t
he solid solution system. This phenomenon, already known for binary compoun
ds, is now observed for the first time a ternary system as well.
The information gained by EXAFS was combined with electronic structure calc
ulations to understand the highly nonlinear dependence of the band gap on x
observed in the composition range 0 less than or equal to x less than or e
qual to 0.25.