Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores

doi:10.1103/PhysRevMaterials.3.095003

This content will become publicly available on September 16, 2020

Title: Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium $A_{2} {Ru}_{2} O_{7}$ pyrochlores

Authors:

Laurita, Geneva;

; Hickox-Young, Daniel;

; Gaultois, Michael W.; Page, Katharine; Lamontagne, Leo K.; Seshadri, Ram

Publication Date:: 2019-09-17

Sponsoring Org.:: USDOE

OSTI Identifier:: 1562328

Grant/Contract Number:: 89233218CNA000001

Resource Type:: Publisher's Accepted Manuscript

Journal Name:: Physical Review Materials

Additional Journal Information:: Journal Name: Physical Review Materials Journal Volume: 3 Journal Issue: 9; Journal ID: ISSN 2475-9953

Publisher:: American Physical Society

Country of Publication:: United States

Language:: English

Citation Formats


                    Laurita, Geneva, Puggioni, Danilo, Hickox-Young, Daniel, Rondinelli, James M., Gaultois, Michael W., Page, Katharine, Lamontagne, Leo K., and Seshadri, Ram. Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores.  United States: N. p., 2019. 
        Web.  doi:10.1103/PhysRevMaterials.3.095003.

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                    Laurita, Geneva, Puggioni, Danilo, Hickox-Young, Daniel, Rondinelli, James M., Gaultois, Michael W., Page, Katharine, Lamontagne, Leo K., & Seshadri, Ram. Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores.  United States.  doi:10.1103/PhysRevMaterials.3.095003.

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                    Laurita, Geneva, Puggioni, Danilo, Hickox-Young, Daniel, Rondinelli, James M., Gaultois, Michael W., Page, Katharine, Lamontagne, Leo K., and Seshadri, Ram. Tue .  
        "Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores".  United States.  doi:10.1103/PhysRevMaterials.3.095003.

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@article{osti_1562328,

  title        = {Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores},

  author       = {Laurita, Geneva and Puggioni, Danilo and Hickox-Young, Daniel and Rondinelli, James M. and Gaultois, Michael W. and Page, Katharine and Lamontagne, Leo K. and Seshadri, Ram},

  abstractNote = {},

  doi          = {10.1103/PhysRevMaterials.3.095003},

  journal      = {Physical Review Materials},

  number       = 9,

  volume       = 3,

  place        = {United States},

  year         = {2019},

  month        = {9}

}

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DOI: 10.1103/PhysRevMaterials.3.095003

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Works referenced in this record:

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Kresse, G.; Furthmüller, J.
Computational Materials Science, Vol. 6, Issue 1, p. 15-50
DOI: 10.1016/0927-0256(96)00008-0

Synthesis of a metallic mesoporous pyrochlore as a catalyst for lithium–O₂ batteries
journal, November 2012

Oh, Si Hyoung; Black, Robert; Pomerantseva, Ekaterina
Nature Chemistry, Vol. 4, Issue 12, p. 1004-1010
DOI: 10.1038/nchem.1499

Rationale for mixing exact exchange with density functional approximations
journal, December 1996

Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
DOI: 10.1063/1.472933

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This content will become publicly available on September 16, 2020

Title: Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium A 2 Ru 2 O 7 pyrochlores

Citation Formats

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set journal, July 1996

Synthesis of a metallic mesoporous pyrochlore as a catalyst for lithium–O2 batteries journal, November 2012

Rationale for mixing exact exchange with density functional approximations journal, December 1996

Title: Uncorrelated Bi off-centering and the insulator-to-metal transition in ruthenium $A_{2} {Ru}_{2} O_{7}$ pyrochlores

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996

Synthesis of a metallic mesoporous pyrochlore as a catalyst for lithium–O₂ batteries
journal, November 2012

Rationale for mixing exact exchange with density functional approximations
journal, December 1996