Layered palladates and their relation to nickelates and cuprates
Abstract
We explore the layered palladium oxides La2PdO4, LaPdO2, and La4Pd3O8 via ab initio calculations. La2PdO4, being low spin d8, is quite different from its high spin nickel analog. Hypothetical LaPdO2, despite its d9 configuration, has a paramagnetic electronic structure very different from cuprates. On the other hand, the hypothetical trilayer compound La4Pd3O8 (d8.67) is more promising in that its paramagnetic electronic structure is very similar to that of overdoped cuprates. But even in the d9 limit (achieved by partial substitution of La with a4+ion), we find that an antiferromagnetic insulating state cannot be stabilized due to the less correlated nature of Pd ions. Furthermore, this material, if it could be synthesized, would provide an ideal platform for testing the validity of magnetic theories for high-temperature superconductivity.
- Authors:
-
- Argonne National Lab. (ANL), Argonne, IL (United States); Arizona State Univ., Tempe, AZ (United States)
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Publication Date:
- Research Org.:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1487132
- Alternate Identifier(s):
- OSTI ID: 1477572
- Grant/Contract Number:
- AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review Materials
- Additional Journal Information:
- Journal Volume: 2; Journal Issue: 10; Journal ID: ISSN 2475-9953
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE
Citation Formats
Botana, Antia S., and Norman, M. R. Layered palladates and their relation to nickelates and cuprates. United States: N. p., 2018.
Web. doi:10.1103/PhysRevMaterials.2.104803.
Botana, Antia S., & Norman, M. R. Layered palladates and their relation to nickelates and cuprates. United States. https://doi.org/10.1103/PhysRevMaterials.2.104803
Botana, Antia S., and Norman, M. R. Mon .
"Layered palladates and their relation to nickelates and cuprates". United States. https://doi.org/10.1103/PhysRevMaterials.2.104803. https://www.osti.gov/servlets/purl/1487132.
@article{osti_1487132,
title = {Layered palladates and their relation to nickelates and cuprates},
author = {Botana, Antia S. and Norman, M. R.},
abstractNote = {We explore the layered palladium oxides La2PdO4, LaPdO2, and La4Pd3O8 via ab initio calculations. La2PdO4, being low spin d8, is quite different from its high spin nickel analog. Hypothetical LaPdO2, despite its d9 configuration, has a paramagnetic electronic structure very different from cuprates. On the other hand, the hypothetical trilayer compound La4Pd3O8 (d8.67) is more promising in that its paramagnetic electronic structure is very similar to that of overdoped cuprates. But even in the d9 limit (achieved by partial substitution of La with a4+ion), we find that an antiferromagnetic insulating state cannot be stabilized due to the less correlated nature of Pd ions. Furthermore, this material, if it could be synthesized, would provide an ideal platform for testing the validity of magnetic theories for high-temperature superconductivity.},
doi = {10.1103/PhysRevMaterials.2.104803},
journal = {Physical Review Materials},
number = 10,
volume = 2,
place = {United States},
year = {Mon Oct 08 00:00:00 EDT 2018},
month = {Mon Oct 08 00:00:00 EDT 2018}
}
Web of Science
Figures / Tables:
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Works referencing / citing this record:
Materials design of dynamically stable layered nickelates
journal, February 2020
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Figures / Tables found in this record: