| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383121 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠CeRh2Sb2 known in simple tetragonal ST-CaGe2Ge2 and body centered BCT ThCr2Si2 types. ⺠Energy results from ab initio DFT calculations show a stabilization of ST versus BCT. ⺠Chemical bonding indicates strongest interactions in Rh-Sb layers. ⺠Antibonding Sb-Sb and Rh-Sb in BCT lead to instability and defects observed experimentally.
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Authors
Samir F. Matar, Bernard Chevalier, Rainer Pöttgen,