Publications [#261101] of Stefano Curtarolo

Papers Published
  1. Curtarolo, S; Kolmogorov, AN; Cocks, FH, High-throughput ab initio analysis of the Bi-In, Bi-Mg, Bi-Sb, In-Mg, In-Sb, and Mg-Sb systems, Calphad: Computer Coupling of Phase Diagrams and Thermochemistry, vol. 29 no. 2 (2005), pp. 155-161 [003], [doi] .

    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. © 2005 Elsevier Ltd. All rights reserved.