Ab Initio Computation of the Low-Temperature Phase Diagrams of the Alkali Metal Iodide−Bromides: MBrxI1-x (0 ≤ x ≤ 1), Where M = Li, Na, K, Rb, or Cs
Author:
Affiliation:
1. Max-Plank-Institute for Solid State Research, Heisenbergstrasse 1, D-70569 Stuttgart, Germany
Publisher
American Chemical Society (ACS)
Subject
Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp066707a
Reference35 articles.
1. First-principles calculations and thermodynamic modeling of the Ni–Mo system
2. Carbon Phase Diagram fromAb InitioMolecular Dynamics
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