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Title: Discovery of Cu 3 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, Cu 3Pb is reported. Cu 3Pb is notably the first structurally characterized mid– to late–first–row transition–metal plumbide. The structure of Cu 3Pb 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 Cu 3Pb. Crucially, electronic structure computations reveal band crossings near the Fermi level, suggesting that chemically doped Cu 3Pb could be a topologically nontrivial material.

Authors:
 [1];  [2];  [1];  [1];  [3];  [4]; ORCiD logo [5];  [1]; ORCiD logo [1]; ORCiD logo [1]
  1. Northwestern Univ., Evanston, IL (United States)
  2. Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
  3. Duke Univ., Durham, NC (United States)
  4. Carnegie Institute of Washington, Argonne, IL (United States)
  5. Univ. of Oregon, Eugene, OR (United States)
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
USDOE National Nuclear Security Administration (NNSA)
OSTI Identifier:
1474354
Alternate Identifier(s):
OSTI ID: 1468499
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.
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:10.1002/anie.201807934.
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:10.1002/anie.201807934. https://www.osti.gov/servlets/purl/1474354.
@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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