Discovery of Cu3 Pb

Tamerius, Alexandra D.; Clarke, Samantha M.; Gu, Mingqiang; Walsh, James P. S.; Esters, Marco; Meng, Yue; Hendon, Christopher H.; Rondinelli, James M.; Jacobsen, Steven D.; Freedman, Danna E.

doi:10.1002/anie.201807934

Title: Discovery of Cu₃ Pb

Abstract

Here, materials discovery enables both realization and understanding of new, exotic, physical phenomena. An emerging approach to the discovery of novel phases is high–pressure synthesis within diamond anvil cells, thereby enabling in–situ monitoring of phase formation. Now, the discovery via high–pressure synthesis of the first intermetallic compound in the Cu–Pb system, Cu₃Pb is reported. Cu₃Pb is notably the first structurally characterized mid– to late–first–row transition–metal plumbide. The structure of Cu₃Pb can be envisioned as a direct mixture of the two elemental lattices. From this new framework, we gain insight into the structure as a function of pressure and hypothesize that the high–pressure polymorph of lead is a possible prerequisite for the formation of Cu₃Pb. Crucially, electronic structure computations reveal band crossings near the Fermi level, suggesting that chemically doped Cu₃Pb could be a topologically nontrivial material.

Authors:

Tamerius, Alexandra D. ^[1]; Clarke, Samantha M. ^[2]; Gu, Mingqiang ^[1]; Walsh, James P. S. ^[1]; Esters, Marco ^[3]; Meng, Yue ^[4];

^[5]; Rondinelli, James M. ^[1];

^[1];

^[1]

Northwestern Univ., Evanston, IL (United States)
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Duke Univ., Durham, NC (United States)
Carnegie Institute of Washington, Argonne, IL (United States)
Univ. of Oregon, Eugene, OR (United States)

Publication Date:: 2018-09-04

Research Org.:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States); Carnegie Inst. of Science, Washington, DC (United States)

Sponsoring Org.:: USDOE National Nuclear Security Administration (NNSA)

OSTI Identifier:: 1474354

Alternate Identifier(s):: OSTI ID: 1468499; OSTI ID: 1596788

Report Number(s):: LLNL-JRNL-754584
Journal ID: ISSN 1433-7851; 940648

Grant/Contract Number:: AC52-07NA27344; NA0001974; FG02-99ER45775; AC02-06CH11357

Resource Type:: Accepted Manuscript

Journal Name:: Angewandte Chemie (International Edition)

Additional Journal Information:: Journal Name: Angewandte Chemie (International Edition); Journal Volume: 57; Journal Issue: 39; Journal ID: ISSN 1433-7851

Publisher:: Wiley

Country of Publication:: United States

Language:: English

Subject:: 36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; diamond anvil cells; high-pressure synthesis; intermetallic compounds; metastable materials; X-ray crystallography

Citation Formats


                    Tamerius, Alexandra D., Clarke, Samantha M., Gu, Mingqiang, Walsh, James P. S., Esters, Marco, Meng, Yue, Hendon, Christopher H., Rondinelli, James M., Jacobsen, Steven D., and Freedman, Danna E. Discovery of Cu3 Pb.  United States: N. p., 2018. 
        Web.  doi:10.1002/anie.201807934.

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                    Tamerius, Alexandra D., Clarke, Samantha M., Gu, Mingqiang, Walsh, James P. S., Esters, Marco, Meng, Yue, Hendon, Christopher H., Rondinelli, James M., Jacobsen, Steven D., & Freedman, Danna E. Discovery of Cu3 Pb.  United States.  doi:https://doi.org/10.1002/anie.201807934

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                    Tamerius, Alexandra D., Clarke, Samantha M., Gu, Mingqiang, Walsh, James P. S., Esters, Marco, Meng, Yue, Hendon, Christopher H., Rondinelli, James M., Jacobsen, Steven D., and Freedman, Danna E. Tue .  
        "Discovery of Cu3 Pb".  United States.  doi:https://doi.org/10.1002/anie.201807934.  https://www.osti.gov/servlets/purl/1474354.

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@article{osti_1474354,

  title        = {Discovery of Cu3 Pb},

  author       = {Tamerius, Alexandra D. and Clarke, Samantha M. and Gu, Mingqiang and Walsh, James P. S. and Esters, Marco and Meng, Yue and Hendon, Christopher H. and Rondinelli, James M. and Jacobsen, Steven D. and Freedman, Danna E.},

  abstractNote = {Here, materials discovery enables both realization and understanding of new, exotic, physical phenomena. An emerging approach to the discovery of novel phases is high–pressure synthesis within diamond anvil cells, thereby enabling in–situ monitoring of phase formation. Now, the discovery via high–pressure synthesis of the first intermetallic compound in the Cu–Pb system, Cu3Pb is reported. Cu3Pb is notably the first structurally characterized mid– to late–first–row transition–metal plumbide. The structure of Cu3Pb can be envisioned as a direct mixture of the two elemental lattices. From this new framework, we gain insight into the structure as a function of pressure and hypothesize that the high–pressure polymorph of lead is a possible prerequisite for the formation of Cu3Pb. Crucially, electronic structure computations reveal band crossings near the Fermi level, suggesting that chemically doped Cu3Pb could be a topologically nontrivial material.},

  doi          = {10.1002/anie.201807934},

  journal      = {Angewandte Chemie (International Edition)},

  number       = 39,

  volume       = 57,

  place        = {United States},

  year         = {2018},

  month        = {9}

}

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Title: Discovery of Cu3 Pb

Abstract

Citation Formats

Evidence for magnetic Weyl fermions in a correlated metal journal, September 2017

The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team journal, July 2015

Quasi-hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure-volume-temperature equation of state journal, January 2001

Dirac metal to topological metal transition at a structural phase change in Au 2 Pb and prediction of Z 2 topology for the superconductor journal, June 2015

Equations of state of six metals above 94 GPa journal, September 2004

Materials discovery at high pressures journal, February 2017

CoBi 3 : Binäre Cobalt-Bismut-Verbindung und Supraleiter journal, July 2013

Schwache Wechselwirkungen unter Druck: hp -CuBi und seine Analoga journal, April 2017

FCC–HCP phase boundary in lead journal, April 2002

The structures of the rare-earth trialuminides journal, February 1966

Creating Binary Cu–Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study journal, May 2017

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis journal, September 2016

Influence of repulsive energy on structural parameters of close-packed metal structures journal, July 1975

Practical Aspects of Modern and Future Permanent Magnets journal, July 2014

New developments in laser-heated diamond anvil cell with in situ synchrotron x-ray diffraction at High Pressure Collaborative Access Team journal, July 2015

Lead: X-ray Diffraction Study of a High-Pressure Polymorph journal, September 1969

CoBi 3 : A Binary Cobalt-Bismuth Compound and Superconductor journal, July 2013

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions journal, February 2018

The structure and bonding of Ni3Sn journal, June 2002

DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration journal, May 2015

Crystal structure and chemistry of topological insulators journal, January 2013

Weak Interactions under Pressure: hp -CuBi and Its Analogues journal, April 2017

High-pressure phase transition and equation of state of lead to 238 GPa journal, June 1990

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis journal, September 2016

Melting of lead under high pressure studied using second-scale time-resolved x-ray diffraction journal, October 2007

Discovery of FeBi 2 journal, October 2016

Title: Discovery of Cu₃ Pb

Evidence for magnetic Weyl fermions in a correlated metal
journal, September 2017

The laser micro-machining system for diamond anvil cell experiments and general precision machining applications at the High Pressure Collaborative Access Team
journal, July 2015

Quasi-hydrostatic compression of magnesium oxide to 52 GPa: Implications for the pressure-volume-temperature equation of state
journal, January 2001

Dirac metal to topological metal transition at a structural phase change in ${Au}_{2} Pb$ and prediction of $Z_{2}$ topology for the superconductor
journal, June 2015

Equations of state of six metals above $94 GPa$
journal, September 2004

Materials discovery at high pressures
journal, February 2017

CoBi ₃ : Binäre Cobalt-Bismut-Verbindung und Supraleiter
journal, July 2013

Schwache Wechselwirkungen unter Druck: hp -CuBi und seine Analoga
journal, April 2017

FCC–HCP phase boundary in lead
journal, April 2002

The structures of the rare-earth trialuminides
journal, February 1966

Creating Binary Cu–Bi Compounds via High-Pressure Synthesis: A Combined Experimental and Theoretical Study
journal, May 2017

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis
journal, September 2016

Influence of repulsive energy on structural parameters of close-packed metal structures
journal, July 1975

Practical Aspects of Modern and Future Permanent Magnets
journal, July 2014

New developments in laser-heated diamond anvil cell with in situ synchrotron x-ray diffraction at High Pressure Collaborative Access Team
journal, July 2015

Lead: X-ray Diffraction Study of a High-Pressure Polymorph
journal, September 1969

CoBi ₃ : A Binary Cobalt-Bismuth Compound and Superconductor
journal, July 2013

Synthesis of Xenon and Iron-Nickel Intermetallic Compounds at Earth’s Core Thermodynamic Conditions
journal, February 2018

The structure and bonding of Ni3Sn
journal, June 2002

DIOPTAS : a program for reduction of two-dimensional X-ray diffraction data and data exploration
journal, May 2015

Crystal structure and chemistry of topological insulators
journal, January 2013

Weak Interactions under Pressure: hp -CuBi and Its Analogues
journal, April 2017

High-pressure phase transition and equation of state of lead to 238 GPa
journal, June 1990

Discovery of a Superconducting Cu-Bi Intermetallic Compound by High-Pressure Synthesis
journal, September 2016

Melting of lead under high pressure studied using second-scale time-resolved x-ray diffraction
journal, October 2007

Discovery of FeBi ₂
journal, October 2016