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          Institute: MPI für Chemische Physik fester Stoffe     Collection: publications 2008     Display Documents

ID: 378229.0, MPI für Chemische Physik fester Stoffe / publications 2008
The Metallic Zintl Phase Ba3Si4 - Synthesis, Crystal Structure, Chemical Bonding, and Physical Properties
Authors:Aydemir, U.; Ormeci, A.; Borrmann, H.; Böhme, B.; Zürcher, F.; Uslu, B.; Goebel, T.; Schnelle, W.; Simon, P.; Carrillo-Cabrera, W.; Haarmann, F.; Baitinger, M.; Nesper, R.; von Schnering, H. G.; Grin, Y.
Date of Publication (YYYY-MM-DD):2008
Title of Journal:Zeitschrift für Anorganische und Allgemeine Chemie
Start Page:1651
End Page:1661
Review Status:Peer-review
Audience:Not Specified
Abstract / Description:The Zintl phase Ba3Si4 has been synthesized from the elements at 1273 K as a single phase. No homogeneity range has been found. The compound decomposes peritectically at 1307(5) K to BaSi2 and melt. The butterfly-shaped Si-4(6-) Zintl anion in the crystal Structure of Ba3Si4 (Pearson symbol tP28, space group P4(2)/mnm, 8.5233(3) angstrom, c = 11.8322(6) angstrom) shows only slightly different Si-Si bond lengths of d(Si-Si) = 2.4183(6) angstrom (1 x) and 2.4254(3) angstrom (4x). The compound is diamagnetic with chi approximate to -50 x 10(-6) cm(3) mol(-1). DC resistivity measurements show a high electrical resistivity (rho(300 K) 1.2 x 10(-3) Omega m) with positive temperature gradient d rho/dT The temperature dependence of the isotropic signal shift and the spin-lattice relaxation times in Si-29 NMR spectroscopy confirms the metallic behavior. The experimental results are in accordance with the calculated electronic band structure. which indicates a metal with a low density of states at the Fermi level. The electron localization function (ELF) is used for analysis of chemical bonding. The reaction of solid Ba3Si4 with gaseous HCl leads to the oxidation of the Si-4(6-) Zintl anion and yields nanoporous silicon.
Free Keywords:barium; tribariumtetrasilicide; Zintl phases; phase diagrams; electronic structure; chemical bonding; nanoporous silicon; crystal structures
External Publication Status:published
Document Type:Article
Communicated by:Ina Wanschura
Affiliations:MPI für chemische Physik fester Stoffe
External Affiliations:Max Planck Inst Chem Phys Fester Stoffe, D-01187 Dresden, Germany.; ETH, Anorgan Chem Lab, CH-8092 Zurich, Switzerland.; Max Planck Inst Festkorperforsch, D-7000 Stuttgart, Germany.; Koc Univ, Dept Chem, Istanbul, Turkey.
Identifiers:ISI:000258670200003 [ID No:1]
ISSN:0044-2313 [ID No:2]
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