High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems
Abstract
Prediction and characterization of crystal structures of alloys are a key problem in materials research. Using high-throughput ab initio calculations we explore the low-temperature phase diagrams for the following systems: {Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb}. For the experimentally observed phases in these systems we provide information about their stability at low temperatures. Keywords: Binary Alloys, Ab initio, Intermetallics, Transition Metals, Structure Prediction, Phase Stability, Magnesium, Indium, Bismuth, Antimony.
- Publication:
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arXiv e-prints
- Pub Date:
- February 2005
- DOI:
- 10.48550/arXiv.cond-mat/0502535
- arXiv:
- arXiv:cond-mat/0502535
- Bibcode:
- 2005cond.mat..2535C
- Keywords:
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- Condensed Matter - Materials Science
- E-Print:
- 6 pages 6 pics