High real-space resolution atomic pair distribution functions (PDFs) have been obtained from ZnSe(1-x)Te(x) using neutron powder diffraction. Distinct Zn-Se and Zn-Te nearest neighbor (nn) bonds, differing in length by delta_r= 0.14Angstroms, are resolved in the measured PDF allowing the evolution with composition of the individual bond-lengths to be studied. The local bond-lengths change much more slowly with doping than the average bond-length obtained crystallographically. The nn bond-length distributions are constant with doping but higher-neighbor pair distributions broaden significantly indicating that most of the strain from the alloying is accommodated by bond-bending forces in the alloy. The PDFs of alloys across the whole doping range are well fit using a model based on the Kirkwood potential. The resulting PDFs give excellent agreement with the measured PDFs over the entire alloy range with no adjustable parameters.
@article{arxiv.cond-mat/0009364,
title = {Local Atomic Strain in ZnSe(1-x)Te(x) from High Real Space Resolution Neutron Pair Distribution Function Measurements},
author = {P. F. Peterson and Th. Proffen and I. -K. Jeong and S. J. L. Billinge and K. -S. Choi and M. G. Kanatzidis and P. G. Radaelli},
journal= {arXiv preprint arXiv:cond-mat/0009364},
year = {2009}
}
Comments
7 pages, 8 figures, submitted to Phys. Rev. B on September 22, 2000