Filled platinum germanium skutterudites MPt4Ge12 (M = Sr, Ba, La—Nd, Sm, Eu): crystal structure and chemical bonding
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Roman Gumeniuk
Abstract
The crystal structures of filled skutterudite compounds MPt4Ge12 (M = Sr, Ba, La—Nd, Sm, Eu) with LaFe4P12 type structure were refined from single crystal XRD data. Displacement parameters of filler atoms M are considerably larger than those of Pt and Ge. We discuss the MPt4Ge12 skutterudites in a crystal chemical framework of related structure types. Electronic structure calculations and chemical bonding analysis by the electron localizability indicator ELI describe the MPt4Ge12 compounds as covalently bonded polyanionic [Pt4Ge12] framework structures which are stabilized by electron transfer from the filler metal ions M. The differences between filled skutterudites based on 3d metals and pnicogenes like As and Sb and the new family of Pt—Ge skutterudites can be explained by features of the DOS at the Fermi level. In case of 3d metal containing compounds it is dominated by contributions of 3d states. In contrast for the MPt4Ge12 compounds the DOS at EF is essentially composed of Ge p states with Pt 5d contributions at significantly lower energies.
© by Oldenbourg Wissenschaftsverlag, Dresden, Germany
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Articles in the same Issue
- Preface: 3rd International Symposium on Structure-Property Relationships in Solid State Materials (SPSSM-2010)
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- From phase-change materials to thermoelectrics?
- Effect of chromium disorder on the thermoelectric properties of Layered-antiferromagnet CuCrS2
- Copper mobility in CuFeS2, a layered trigonal phase obtained from LiCuFeS2
- Local structure of TiNiCu(Hf) shape memory alloys: XAFS data analysis
- Ce valence in intermetallic compounds by means of XANES spectroscopy
- Correlation of the local and the macroscopic properties of high-temperature superconductors
- Coexistence of Charge Density Waves and d-Wave Superconductivity in Cuprates. Sharing of the Fermi Surface
- The coherent state and its relation to the flat/steep band model
- The layered ferromagnet Cs2AgF4: Antiferromagnetic inter-layer coupling driven by magnetic dipole-dipole interactions
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