Surface Energies of LaMnO<sub>3</sub> High-Index Surfaces Obtained from Density-Functional Theory-Reference-Cited by-同舟云学术

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Surface Energies of LaMnO₃ High-Index Surfaces Obtained from Density-Functional Theory

Published:2023-05-12 Issue:20 Volume:127 Page:9814-9822
ISSN:1932-7447
Container-title:The Journal of Physical Chemistry C
language:en
Short-container-title:J. Phys. Chem. C

Author:

Mantz Yves A.¹^ORCID,Lee Yueh-Lin²³^ORCID

Affiliation:

1. U.S. Department of Energy, National Energy Technology Laboratory, 3610 Collins Ferry Road, Morgantown, West Virginia 26505, United States

2. U.S. Department of Energy, National Energy Technology Laboratory, 626 Cochrans Mill Road, Pittsburgh, Pennsylvania 15236, United States

3. NETL Support Contractor, 626 Cochrans Mill Road, Pittsburgh, Pennsylvania 15236, United States

Funder

U.S. Department of Energy

Publisher

American Chemical Society (ACS)

Subject

Surfaces, Coatings and Films,Physical and Theoretical Chemistry,General Energy,Electronic, Optical and Magnetic Materials

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcc.3c00984

Reference46 articles.

1. Neutron-diffraction study of the Jahn-Teller transition in stoichiometricLaMnO3

2. Structural phase diagram of La1 − xSrxMnO3 for low Sr doping

3. DFT plane wave calculations of the atomic and electronic structure of LaMnO3(001) surface

4. Comparative density-functional LCAO and plane-wave calculations ofLaMnO3surfaces

5. Atomic, electronic and thermodynamic properties of cubic and orthorhombic LaMnO3 surfaces

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