Discovery of Cu3Pb
Alexandra D. Tamerius
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. Samantha M. Clarke
Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA, 94550 USA
Search for more papers by this authorDr. Mingqiang Gu
Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. James P. S. Walsh
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. Marco Esters
Center for Materials Genomics, Duke University, Durham, NC, 27708 USA
Search for more papers by this authorDr. Yue Meng
HPCAT, Geophysical Laboratory, Carnegie Institute of Washington, Argonne, IL, 60439 USA
Search for more papers by this authorProf. Christopher H. Hendon
Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR, 97403 USA
Search for more papers by this authorProf. James M. Rondinelli
Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorProf. Steven D. Jacobsen
Department of Earth and Planetary Sciences, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorCorresponding Author
Prof. Danna E. Freedman
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorAlexandra D. Tamerius
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. Samantha M. Clarke
Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA, 94550 USA
Search for more papers by this authorDr. Mingqiang Gu
Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. James P. S. Walsh
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorDr. Marco Esters
Center for Materials Genomics, Duke University, Durham, NC, 27708 USA
Search for more papers by this authorDr. Yue Meng
HPCAT, Geophysical Laboratory, Carnegie Institute of Washington, Argonne, IL, 60439 USA
Search for more papers by this authorProf. Christopher H. Hendon
Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR, 97403 USA
Search for more papers by this authorProf. James M. Rondinelli
Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorProf. Steven D. Jacobsen
Department of Earth and Planetary Sciences, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorCorresponding Author
Prof. Danna E. Freedman
Department of Chemistry, Northwestern University, Evanston, IL, 60208 USA
Search for more papers by this authorGraphical Abstract
Abstract
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.
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