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

Laurita, Geneva; Puggioni, Danilo; Hickox-Young, Daniel; Rondinelli, James M.; Gaultois, Michael W.; Page, Katharine; Lamontagne, Leo K.; Seshadri, Ram

doi:10.1103/PhysRevMaterials.3.095003

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

Citation Formats

Electrical Resistivity of SrRuO 3 journal, August 1969

Effective ionic radii in oxides and fluorides journal, May 1969

Lone pairs in insulating pyrochlores: Ice rules and high-k behavior journal, March 2006

Structural disorder, magnetism, and electrical and thermoelectric properties of pyrochlore Nd 2 Ru 2 O 7 journal, April 2013

PDFgetN : a user-friendly program to extract the total scattering structure factor and the pair distribution function from neutron powder diffraction data journal, August 2000

Structural and Electronic Factors Governing the Metallic and Nonmetallic Properties of the PyrochloresA2Ru2O7−y journal, July 1997

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

Particle size effects in thick film resistors journal, July 1982

Electronic Band Structure of the Pyrochlore Ruthenium Oxides A 2 Ru 2 O 7 ( A = B i , Tl and Y) journal, February 2000

EXPGUI , a graphical user interface for GSAS journal, April 2001

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

Transport properties of quasi-one-dimensional KRu 4 O 8 journal, April 2009

Expanded lattice ruthenium pyrochlore oxide catalysts II. Catalyst surface investigations by electron microscopy, X-ray photoelectron spectroscopy, and temperature-programmed reduction and oxidation journal, January 1991

New ternary oxides of mercury with the pyrochlore structure journal, September 1968

Atomic displacements in the charge ice pyrochlore Bi 2 Ti 2 O 6 O ′ studied by neutron total scattering journal, April 2010

Metallic state induced in Eu 2 Ru 2 O 7 by hole creation and orbital overlap in the t 2 g bands journal, April 2012

Thermoelectric properties of the Bi2−xYxRu2O7 (x=0–2) pyrochlores journal, April 2003

Synthesis and structural study of stoichiometric Bi2Ti2O7 pyrochlore journal, January 2004

Effect of disorder on the temperature dependence of the resistivity of Sr Ru O 3 journal, April 2008

Magnetoresistance, noise properties and the Koshino-Taylor effect in the quasi-1D oxide KRu 4 O 8 journal, March 2012

Crystal Structure and Electrical Properties of the Pyrochlore Ruthenate Bi2-xYxRu2O7 journal, January 1993

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data journal, October 2011

Spin glass behavior in metallic pyrochlore ruthenate Ca 2 Ru 2 O 7 journal, January 2009

Thermoelectric properties of Ln2−xBixRu2O7 pyrochlores (Ln=Nd and Yb) journal, November 2001

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals journal, July 2007

Electrochemistry of ruthenates. Part 1.—Oxygen reduction on pyrochlore ruthenates journal, January 1983

Oxide pyrochlores — A review journal, January 1983

Superconductivity in a layered perovskite without copper journal, December 1994

Influence of Structural Disorder on Hollandites A x Ru 4 O 8 (A + = K, Rb, Rb 1– x Na x ) journal, March 2016

A new family of bismuth — Precious metal pyrochlores journal, August 1971

Electronic characterization of alkali ruthenium hollandites: KRu4O8, RbRu4O8 and Cs0.8Li0.2Ru4O8 journal, September 2004

Incoherent Bi off-centering in Bi 2 Ti 2 O 6 O ′ and Bi 2 Ru 2 O 6 O ′ : Insulator versus metal journal, August 2011

Static disorder from lone-pair electrons in pyrochlores journal, November 2002

Quasi-one-dimensional electronic structure of hollandite ruthenate K 2 Ru 8 O 16 journal, May 2011

Structural and Electronic Properties of the Ru Pyrochlores Bi 2- y Yb y Ru 2 O 7- δ journal, October 2003

The electrical properties of A2[Ru2−xAx]O7−y (A = Pb or Bi) pyrochlores as a function of composition and temperature journal, January 1988

The Intriguing Superconductivity of Strontium Ruthenate journal, January 2001

Spin Ice State in Frustrated Magnetic Pyrochlore Materials journal, November 2001

Building a high resolution total scattering powder diffractometer - upgrade of NPD at MLNSC journal, December 2002

Electronic properties of the metallic pyrochlore ruthenates Pb 2 Ru 2 O 6.5 and Bi 2 Ru 2 O 7 journal, May 2006

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

Electrical and magnetic properties of the complete solid solution series between SrRuO 3 and LaRhO 3 : Filling t 2 g versus tilting journal, February 2011

Structural and Bonding Trends in Ruthenium Pyrochlores journal, November 1996

Ordering and Antiferromagnetism in Ferrites journal, May 1956

Improved tetrahedron method for Brillouin-zone integrations journal, June 1994

Preparation and electrical conductivity of Bi2Ru2O7 single crystals journal, September 1984

Magnetic Interactions in Ternary Ruthenium Oxides journal, September 1966

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

Electrical Resistivity of SrRuO ₃
journal, August 1969

Effective ionic radii in oxides and fluorides
journal, May 1969

Lone pairs in insulating pyrochlores: Ice rules and high-k behavior
journal, March 2006

Structural disorder, magnetism, and electrical and thermoelectric properties of pyrochlore Nd ₂ Ru ₂ O ₇
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PDFgetN : a user-friendly program to extract the total scattering structure factor and the pair distribution function from neutron powder diffraction data
journal, August 2000

Structural and Electronic Factors Governing the Metallic and Nonmetallic Properties of the PyrochloresA2Ru2O7−y
journal, July 1997

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

Particle size effects in thick film resistors
journal, July 1982

Electronic Band Structure of the Pyrochlore Ruthenium Oxides A ₂ Ru ₂ O ₇ ( A = B i , Tl and Y)
journal, February 2000

EXPGUI , a graphical user interface for GSAS
journal, April 2001

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

Transport properties of quasi-one-dimensional ${KRu}_{4} O_{8}$
journal, April 2009

Expanded lattice ruthenium pyrochlore oxide catalysts II. Catalyst surface investigations by electron microscopy, X-ray photoelectron spectroscopy, and temperature-programmed reduction and oxidation
journal, January 1991

New ternary oxides of mercury with the pyrochlore structure
journal, September 1968

Atomic displacements in the charge ice pyrochlore ${Bi}_{2} {Ti}_{2} O_{6} O^{'}$ studied by neutron total scattering
journal, April 2010

Metallic state induced in Eu ₂ Ru ₂ O ₇ by hole creation and orbital overlap in the t _{2 g} bands
journal, April 2012

Thermoelectric properties of the Bi2−xYxRu2O7 (x=0–2) pyrochlores
journal, April 2003

Synthesis and structural study of stoichiometric Bi2Ti2O7 pyrochlore
journal, January 2004

Effect of disorder on the temperature dependence of the resistivity of $Sr Ru O_{3}$
journal, April 2008

Magnetoresistance, noise properties and the Koshino-Taylor effect in the quasi-1D oxide KRu ₄ O ₈
journal, March 2012

Crystal Structure and Electrical Properties of the Pyrochlore Ruthenate Bi2-xYxRu2O7
journal, January 1993

VESTA 3 for three-dimensional visualization of crystal, volumetric and morphology data
journal, October 2011

Spin glass behavior in metallic pyrochlore ruthenate Ca ₂ Ru ₂ O ₇
journal, January 2009

Thermoelectric properties of Ln2−xBixRu2O7 pyrochlores (Ln=Nd and Yb)
journal, November 2001

PDFfit2 and PDFgui: computer programs for studying nanostructure in crystals
journal, July 2007

Electrochemistry of ruthenates. Part 1.—Oxygen reduction on pyrochlore ruthenates
journal, January 1983

Oxide pyrochlores — A review
journal, January 1983

Superconductivity in a layered perovskite without copper
journal, December 1994

Influence of Structural Disorder on Hollandites A _x Ru ₄ O ₈ (A ⁺ = K, Rb, Rb _{1– x} Na _x )
journal, March 2016

A new family of bismuth — Precious metal pyrochlores
journal, August 1971

Electronic characterization of alkali ruthenium hollandites: KRu4O8, RbRu4O8 and Cs0.8Li0.2Ru4O8
journal, September 2004

Incoherent Bi off-centering in Bi $_{2}$ Ti $_{2}$ O $_{6}$ O $^{'}$ and Bi $_{2}$ Ru $_{2}$ O $_{6}$ O $^{'}$ : Insulator versus metal
journal, August 2011

Static disorder from lone-pair electrons in pyrochlores
journal, November 2002

Quasi-one-dimensional electronic structure of hollandite ruthenate $K_{2}$ Ru $_{8}$ O $_{16}$
journal, May 2011

Structural and Electronic Properties of the Ru Pyrochlores Bi _2- _y Yb _y Ru ₂ O _7- _δ
journal, October 2003

The electrical properties of A2[Ru2−xAx]O7−y (A = Pb or Bi) pyrochlores as a function of composition and temperature
journal, January 1988

The Intriguing Superconductivity of Strontium Ruthenate
journal, January 2001

Spin Ice State in Frustrated Magnetic Pyrochlore Materials
journal, November 2001

Building a high resolution total scattering powder diffractometer - upgrade of NPD at MLNSC
journal, December 2002

Electronic properties of the metallic pyrochlore ruthenates ${Pb}_{2} {Ru}_{2} O_{6.5}$ and ${Bi}_{2} {Ru}_{2} O_{7}$
journal, May 2006

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

Electrical and magnetic properties of the complete solid solution series between SrRuO $_{3}$ and LaRhO $_{3}$ : Filling $t_{2 g}$ versus tilting
journal, February 2011

Structural and Bonding Trends in Ruthenium Pyrochlores
journal, November 1996

Ordering and Antiferromagnetism in Ferrites
journal, May 1956

Improved tetrahedron method for Brillouin-zone integrations
journal, June 1994

Preparation and electrical conductivity of Bi2Ru2O7 single crystals
journal, September 1984

Magnetic Interactions in Ternary Ruthenium Oxides
journal, September 1966