Physics – Condensed Matter – Materials Science
Scientific paper
2000-09-22
Physics
Condensed Matter
Materials Science
7 pages, 8 figures, submitted to Phys. Rev. B on September 22, 2000
Scientific paper
10.1103/PhysRevB.63.165211
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.
Billinge Simon J. L.
Choi Kang-Sin
Jeong Il-Kyoung
Kanatzidis Mercouri G.
Peterson P. F.
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