A large family of filled skutterudites stabilized by electron count

Huixia Luo (), Jason W. Krizan, Lukas Muechler, Neel Haldolaarachchige, Tomasz Klimczuk, Weiwei Xie, Michael K. Fuccillo, Claudia Felser and Robert J. Cava ()
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Huixia Luo: Princeton University
Jason W. Krizan: Princeton University
Lukas Muechler: Princeton University
Neel Haldolaarachchige: Princeton University
Tomasz Klimczuk: Faculty of Applied Physics and Mathematics, Gdansk University of Technology
Weiwei Xie: Princeton University
Michael K. Fuccillo: Princeton University
Claudia Felser: Max-Planck-Institut für Chemische Physik Fester Stoffe
Robert J. Cava: Princeton University

Nature Communications, 2015, vol. 6, issue 1, 1-10

Abstract: Abstract The Zintl concept is important in solid-state chemistry to explain how some compounds that combine electropositive and main group elements can be stable at formulas that at their simplest level do not make any sense. The electronegative elements in such compounds form a polyatomic electron-accepting molecule inside the solid, a ‘polyanion’, that fills its available energy states with electrons from the electropositive elements to obey fundamental electron-counting rules. Here we use this concept to discover a large family of filled skutterudites based on the group 9 transition metals Co, Rh, and Ir, the alkali, alkaline-earth, and rare-earth elements, and Sb4 polyanions. Forty-three new filled skutterudites are reported, with 63 compositional variations—results that can be extended to the synthesis of hundreds of additional new compounds. Many interesting electronic and magnetic properties can be expected in future studies of these new compounds.

Date: 2015
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DOI: 10.1038/ncomms7489

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