Effect of transition element doping on crystal structure of rare earth borosilicides REB{sub 44}Si{sub 2}

Journal Article · Fri Jul 15 00:00:00 EDT 2011 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/j.jssc.2011.04.038· OSTI ID:21580149

Berthebaud, D; Sato, A; Michiue, Y ^[1]; Mori, T ^[1]; Nomura, A; Shishido, T; Nakajima, K ^[2]

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1. National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba 305-0044 (Japan)
2. Institute for Materials Research, Tohoku University, 2-1-1 Katahira, Aoba-ku, Sendai 980-8577 (Japan)

On a previous study on samples of doped-YB{sub 44}Si{sub 2}, an improvement of thermoelectric properties has been achieved. Regarding the interesting effect of the doping of transition elements on the thermoelectric properties, a single crystal study has been carried out on Zn doped, Rh doped and Ni doped samples to assess how the transition element doping affects the crystal structure. Refinements were carried out based on the structural model solution of YB{sub 44}Si{sub 2} reported in a previous study. Variations in the silicon contents were found in the doped single crystals. Splitting of partially occupied sites has also been detected for some of the doped samples. In this paper we present differences in the partial occupations of boron and silicon sites. Possibility of transition elements insertions based on the differences in crystal structures will be presented. - Graphical Abstract: New transition elements doped YB{sub 44}Si{sub 2} were synthesized and have nominal compositions YB{sub 41.1}Si{sub 1.1}Rh{sub 0.02} and YB{sub 41}Si{sub 1.3}Ni{sub 0.06}. Insertion of transition elements into the crystal structure of YB{sub 44}Si{sub 2} leads to the transformation of B{sub 12} icosahedra into B{sub 11} polyhedrons for a few percent of them. Highlights: > Differences in the partial occupations of boron and silicon sites{yields}Possibility of transition elements insertions. > Mixed occupancy of split positions. > Insertion of transition elements between B{sub 12} icosahedra.

• OSTI ID: 21580149
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Journal Issue: 7 Vol. 184; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
BORIDES
BORON
BORON COMPOUNDS
BORON SILICIDES
CRYSTAL DOPING
CRYSTAL STRUCTURE
CRYSTALS
DOPED MATERIALS
ELECTRICAL PROPERTIES
ELEMENTS
MATERIALS
METALS
MONOCRYSTALS
PHYSICAL PROPERTIES
RARE EARTHS
SEMIMETALS
SILICIDES
SILICON
SILICON COMPOUNDS
STRUCTURAL MODELS
THERMOELECTRIC PROPERTIES
TRANSITION ELEMENTS