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  Making and Breaking Bonds in Superconducting SrAl4-xSix (0 <= x <= 2)

Zevalkink, A., Bobnar, M., Schwarz, U., & Grin, Y. (2017). Making and Breaking Bonds in Superconducting SrAl4-xSix (0 <= x <= 2). Chemistry of Materials, 29(3), 1236-1244. doi:10.1021/acs.chemmater.6b04615.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-002C-F746-8 Version Permalink: http://hdl.handle.net/21.11116/0000-0001-6689-2
Genre: Journal Article

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 Creators:
Zevalkink, Alex1, Author              
Bobnar, Matej1, Author              
Schwarz, Ulrich2, Author              
Grin, Yuri3, Author              
Affiliations:
1Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863405              
2Ulrich Schwarz, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863423              
3Juri Grin, Chemical Metal Science, Max Planck Institute for Chemical Physics of Solids, Max Planck Society, ou_1863413              

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 Abstract: We explored the role of valence electron concentration in bond formation and superconductivity of mixed silicon-aluminum networks by using high-pressure synthesis to obtain the BaAl4-type structural pattern in solid solution samples SrAl4-xSix where 0 <= x <= 2. Local ordering of aluminum and silicon in SrAl4-xSix was evidenced by nuclear magnetic resonance experiments. Subsequent bonding analysis by quantum chemical techniques in real space demonstrated that the strong deviation of the lattice parameters in SrAl4-xSix from Vegard's law can be attributed to the strengthening of interatomic Al-Al and Al-Si bonds within the layers (perpendicular to [001]) for 0 <= x <= 1.5, followed by the breaking of the interlayer bonds (parallel to [001]) for 1.5 < x <= 2 and leading to the structural transition from the BaAl4 structure type with three-dimensional anionic framework at lower x values to the two-dimensional anion of the BaZn2P2 structure type with increasing x values. Low-temperature measurements of the resistivity and heat capacity reveal that SrAl2.5Si1.5 and SrAl2Si2 prepared at high pressures exhibit superconductivity with critical temperatures of 2.1 and 2.6 K, respectively.

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Language(s): eng - English
 Dates: 2017-01-202017-01-20
 Publication Status: Published in print
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Title: Chemistry of Materials
  Abbreviation : Chem. Mater.
Source Genre: Journal
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Publ. Info: Washington, D.C. : American Chemical Society
Pages: - Volume / Issue: 29 (3) Sequence Number: - Start / End Page: 1236 - 1244 Identifier: ISSN: 0897-4756
CoNE: https://pure.mpg.de/cone/journals/resource/954925561571