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Title: Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La 4Ni 3O 10.

Abstract

The DFT calculations in the main text use crystal structure information determined by x-ray diffraction (XRD) measurements of La 4Ni 3O 10. The room temperature XRD measurements on all samples were consistent with mixed phases of orthorhombic and monoclinic symmetry. However, the in-plane lattice constants of these two phases differ by <1%, leading to minimal influence on band structure calculations. Furthermore, any impact on the experimental Fermi surface attributable to such deviations would be obscured by broadening of the bands measured by ARPES. Therefore, the DFT calculations adopt the higher symmetry orthorhombic crystal structure with space group Cmca and lattice constants a = 5.417 Å, c = 5.468 Å, b = 27.962 Å, with some additional relaxation of the internal coordinates. The detailed atomic coordinates are presented in Supplementary Table 1.

Authors:
 [1];  [1];  [1]; ORCiD logo [2]; ORCiD logo [3];  [4];  [2];  [5]
  1. Univ. of Colorado, Boulder, CO (United States). Dept. of Physics
  2. Argonne National Lab. (ANL), Argonne, IL (United States). Material Science Division
  3. Univ. de Santiago de Compostela, Santiago de Compostela (Spain)
  4. Univ. of California, Davis, CA (United States). Dept. of Physics
  5. Univ. of Colorado, Boulder, CO (United States). Dept. of Physics; Univ. of Colorado, Boulder, CO (United States). Center for Experiments on Quantum Materials
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Materials Sciences & Engineering Division
OSTI Identifier:
1466345
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE

Citation Formats

Li, Haoxiang, Zhou, Xiaoqing, Nummy, Thomas, Zhang, Junjie, Pardo, Victor, Pickett, Warren E., Mitchell, J. F., and Dessau, D. S. Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.. United States: N. p., 2018. Web. doi:10.1038/s41467-018-04106-x.
Li, Haoxiang, Zhou, Xiaoqing, Nummy, Thomas, Zhang, Junjie, Pardo, Victor, Pickett, Warren E., Mitchell, J. F., & Dessau, D. S. Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.. United States. doi:10.1038/s41467-018-04106-x.
Li, Haoxiang, Zhou, Xiaoqing, Nummy, Thomas, Zhang, Junjie, Pardo, Victor, Pickett, Warren E., Mitchell, J. F., and Dessau, D. S. Wed . "Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.". United States. doi:10.1038/s41467-018-04106-x. https://www.osti.gov/servlets/purl/1466345.
@article{osti_1466345,
title = {Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.},
author = {Li, Haoxiang and Zhou, Xiaoqing and Nummy, Thomas and Zhang, Junjie and Pardo, Victor and Pickett, Warren E. and Mitchell, J. F. and Dessau, D. S.},
abstractNote = {The DFT calculations in the main text use crystal structure information determined by x-ray diffraction (XRD) measurements of La4Ni3O10. The room temperature XRD measurements on all samples were consistent with mixed phases of orthorhombic and monoclinic symmetry. However, the in-plane lattice constants of these two phases differ by <1%, leading to minimal influence on band structure calculations. Furthermore, any impact on the experimental Fermi surface attributable to such deviations would be obscured by broadening of the bands measured by ARPES. Therefore, the DFT calculations adopt the higher symmetry orthorhombic crystal structure with space group Cmca and lattice constants a = 5.417 Å, c = 5.468 Å, b = 27.962 Å, with some additional relaxation of the internal coordinates. The detailed atomic coordinates are presented in Supplementary Table 1.},
doi = {10.1038/s41467-018-04106-x},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {2018},
month = {5}
}

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