Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.

Li, Haoxiang; Zhou, Xiaoqing; Nummy, Thomas; Zhang, Junjie; Pardo, Victor; Pickett, Warren E.; Mitchell, J. F.; Dessau, D. S.

doi:10.1038/s41467-018-04106-x

Title: Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La₄Ni₃O₁₀.

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Abstract

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.

Authors:

Li, Haoxiang ^[1]; Zhou, Xiaoqing ^[1]; Nummy, Thomas ^[1];

^[2];

^[3]; Pickett, Warren E. ^[4]; Mitchell, J. F. ^[2]; Dessau, D. S. ^[5]

Univ. of Colorado, Boulder, CO (United States). Dept. of Physics
Argonne National Lab. (ANL), Argonne, IL (United States). Material Science Division
Univ. de Santiago de Compostela, Santiago de Compostela (Spain)
Univ. of California, Davis, CA (United States). Dept. of Physics
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:: Wed May 16 00:00:00 EDT 2018

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.

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                    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.  https://doi.org/10.1038/s41467-018-04106-x

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                    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.  https://doi.org/10.1038/s41467-018-04106-x.  https://www.osti.gov/servlets/purl/1466345.

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@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         = {Wed May 16 00:00:00 EDT 2018},

  month        = {Wed May 16 00:00:00 EDT 2018}

}

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Title: Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La4Ni3O10.

Abstract

Citation Formats

Title: Addendum: Fermiology and Electron Dynamics of Trilayer Nickelate La₄Ni₃O₁₀.