Universal stabilizing mechanism for transition-metal polytetrahedrally packed phases
- 15 August 1990
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 42 (6) , 3345-3350
- https://doi.org/10.1103/physrevb.42.3345
Abstract
We describe the electronic factors leading to structural stability in the class of transition-metal alloys exhibiting polytetrahedral packing (PTP). In a cluster expansion for the total energy, the lowest-order terms which obtain the correct chemical trends correspond to angular forces. These contain an energetic penalty for four-body clusters with 90° angles. Such clusters are uniformly absent in the PTP phases. The four-body contribution is roughly structure independent within the PTP class.Keywords
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