Publication Date:
2011-06-22
Description:
Author(s): Aron Walsh, Alexey A. Sokol, and C. Richard A. Catlow The temperature-dependent free energies, entropies, and enthalpies for the formation of anion Frenkel pairs in In 2 O 3 are reported, as calculated within the Mott-Littleton embedded-cluster approach, by exploiting the relationship between isobaric and isochoric thermodynamic processes. Our model for I... [Phys. Rev. B 83, 224105] Published Tue Jun 21, 2011
Keywords:
Structure, structural phase transitions, mechanical properties, defects
Print ISSN:
1098-0121
Electronic ISSN:
1095-3795
Topics:
Physics