2015-Sustainable Industrial Processing Summit
SIPS 2015 Volume 8: Composite & Ceramic, Quasi-crystals and Nanomaterials
| Editors: | Kongoli F, Pech-Canul M, Kalemtas A, Werheit H |
| Publisher: | Flogen Star OUTREACH |
| Publication Year: | 2015 |
| Pages: | 300 pages |
| ISBN: | 978-1-987820-31-7 |
| ISSN: | 2291-1227 (Metals and Materials Processing in a Clean Environment Series) |
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Electronic Structure and Physical Properties of Some Boron-Rich Ternary Compounds
Jean-Francois Halet1;1INSTITUT DES SCIENCES CHIMIQUES DE RENNES, Rennes, France;
Type of Paper: Invited
Id Paper: 417
Topic: 18
Abstract:
Compounds containing planar boron sheets are of current interest because of the important role of such sheets in the superconducting behavior of MgB2. Among them, solid state ternary borides of stoichiometry REMB4 such as YCrB4 (RE = rare earth metal and M = transition metal or heavy main group atom) exhibit infinite two-dimensional layers of boron atoms with topologies different from that encountered in MgB2. Parameters such as the symmetry, the electron count and the nature of the RE and M elements will be analyzed with the aid of density-functional band structure calculations to address the issues of structural arrangement and some physical properties, in particular thermoelectrical properties.