Abstract
The surface energies of cubic LaMnO3 (001), (011), and (111) surfaces are computed as a function of surface model thickness using both asymmetric and symmetric surface models. A new procedure is used to avoid the divergence of the surface energy with increasing model thickness. In the literature, certain relaxed surface energies have been reported for the (001) surface that are significantly different and for the (011) surface that are significantly different. Using the results of this work, these different surface energies for the (001) and (011) surfaces can be explained.
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
