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.

Full Text

Duke Authors

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