High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems

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. © 2005 Elsevier Ltd. All rights reserved.

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Duke Authors

Cocks, F. Hadley
Curtarolo, Stefano

Cited Authors

Curtarolo, S; Kolmogorov, AN; Cocks, FH

Published Date

2005

Published In

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volume / Issue

29 / 2

Start / End Page

155 - 161

Digital Object Identifier (DOI)

10.1016/j.calphad.2005.04.003

Citation Source

SciVal