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Title: Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO 3

Here, we report ordering of the cobalt electron configuration in ferromagnetic strained epitaxial LaCoO 3. Specifically, the presence of charge order is demonstrated from distinct features of the resonant cobalt contribution to superstructure reflections. Density functional theory calculations show that the observed order is consistent with the spin-state periodicity predicted to give rise to ferromagnetism in LaCoO 3. Through the modification of symmetry by strain, concurrent frozen charge and spin-state order are stabilized, giving rise to long-range magnetic order.
Authors:
 [1] ;  [2] ;  [3] ;  [3] ;  [1] ;  [4] ;  [5] ;  [1] ;  [6]
  1. Argonne National Lab. (ANL), Argonne, IL (United States)
  2. Univ. of Illinois at Chicago, Chicago, IL (United States)
  3. Univ. of California, Riverside, CA (United States)
  4. National Inst. of Standards and Technology (NIST), Gaithersburg, MD (United States)
  5. Univ. of Illinois at Chicago, Chicago, IL (United States); Argonne National Lab. (ANL), Argonne, IL (United States)
  6. Argonne National Lab. (ANL), Argonne, IL (United States); Dublin City Univ., Dublin (Ireland)
Publication Date:
Grant/Contract Number:
AC02-06CH11357; FG02-07ER46351
Type:
Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Volume: 120; Journal Issue: 19; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society (APS)
Research Org:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
Subject:
74 ATOMIC AND MOLECULAR PHYSICS
OSTI Identifier:
1460556
Alternate Identifier(s):
OSTI ID: 1436388

Sterbinsky, G. E., Nanguneri, R., Ma, J. X., Shi, J., Karapetrova, E., Woicik, J. C., Park, H., Kim, J. -W., and Ryan, P. J.. Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO3. United States: N. p., Web. doi:10.1103/PhysRevLett.120.197201.
Sterbinsky, G. E., Nanguneri, R., Ma, J. X., Shi, J., Karapetrova, E., Woicik, J. C., Park, H., Kim, J. -W., & Ryan, P. J.. Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO3. United States. doi:10.1103/PhysRevLett.120.197201.
Sterbinsky, G. E., Nanguneri, R., Ma, J. X., Shi, J., Karapetrova, E., Woicik, J. C., Park, H., Kim, J. -W., and Ryan, P. J.. 2018. "Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO3". United States. doi:10.1103/PhysRevLett.120.197201.
@article{osti_1460556,
title = {Ferromagnetism and Charge Order from a Frozen Electron Configuration in Strained Epitaxial LaCoO3},
author = {Sterbinsky, G. E. and Nanguneri, R. and Ma, J. X. and Shi, J. and Karapetrova, E. and Woicik, J. C. and Park, H. and Kim, J. -W. and Ryan, P. J.},
abstractNote = {Here, we report ordering of the cobalt electron configuration in ferromagnetic strained epitaxial LaCoO3. Specifically, the presence of charge order is demonstrated from distinct features of the resonant cobalt contribution to superstructure reflections. Density functional theory calculations show that the observed order is consistent with the spin-state periodicity predicted to give rise to ferromagnetism in LaCoO3. Through the modification of symmetry by strain, concurrent frozen charge and spin-state order are stabilized, giving rise to long-range magnetic order.},
doi = {10.1103/PhysRevLett.120.197201},
journal = {Physical Review Letters},
number = 19,
volume = 120,
place = {United States},
year = {2018},
month = {5}
}

Works referenced in this record:

Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
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From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999