Analysis of modulated Ho2PdSi3 crystal structure at Pd K and Ho L absorption edges using resonant elastic X-scattering

Journal of Physics. Condensed Matter : an Institute of Physics Journal
Melanie NentwichDirk C Meyer

Abstract

Replacing Si atoms with a transition metal in rare earth disilicides results in a family of intermetallic compounds with a variety of complex magnetic phase transitions. In particular, the family R 2PdSi3 shows interesting magnetic behavior arising from the electronic interaction of the R element with the transition metal in the Si network, inducing the specific structure of the related phase. Within this series, the highest degree of superstructural order was reported for the investigated representative Ho2PdSi3, although several competing superstructures have been proposed in literature. The diffraction anomalous fine structure (DAFS) method is highly sensitive to the local structure of chosen atoms at specific positions within the unit cell of a crystalline phase. In combination with x-ray absorption fine structure (XAFS), this sophisticated synchrotron method has been applied in the present work to several selected reflections, i.a. a satellite reflection. Extensive electronic modeling was used to test the most relevant structure proposals. The [Formula: see text] superstructure has been strongly confirmed, although a small amount of disorder in the modulation is very probable.

Citations

Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·M NentwichD C Meyer
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·M NentwichD C Meyer

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