The structural features in doped skutterudites were studied using the neutron and synchrotron powder-diffraction as well as ab initio calculations. For this investigation samples with iron (Fe) doping and nickel (Ni) substitution were assumed. The problem of fluorescence in conventional x-ray powder diffraction on the Fe-doped samples by comparison with neutron powder diffraction data was illustrated. Also the neutron powder diffraction data for Ni-substituted samples were collected and investigated. The sample with highest Ni substitution was used for high resolution, high energy synchrotron powder diffraction measurement and this revealed that the sample consisted of two skutterudite phases.
Christensen, M., Iverser, B., Bertini, L., Gatti, C., Toprak, M., Muhammed, M., et al. (2004). Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory. JOURNAL OF APPLIED PHYSICS, 96(6), 3148-3157 [10.1063/1.1781762].
Structural study of Fe doped and Ni substituted thermoelectric skutterudites by combined synchrotron and neutron powder diffraction and ab Initio theory
Bertini L.;
2004
Abstract
The structural features in doped skutterudites were studied using the neutron and synchrotron powder-diffraction as well as ab initio calculations. For this investigation samples with iron (Fe) doping and nickel (Ni) substitution were assumed. The problem of fluorescence in conventional x-ray powder diffraction on the Fe-doped samples by comparison with neutron powder diffraction data was illustrated. Also the neutron powder diffraction data for Ni-substituted samples were collected and investigated. The sample with highest Ni substitution was used for high resolution, high energy synchrotron powder diffraction measurement and this revealed that the sample consisted of two skutterudite phases.
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