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Discovery of Cu3Pb.
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.
Afiliación
  • Tamerius AD; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA.
  • Clarke SM; Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA, 94550, USA.
  • Gu M; Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208, USA.
  • Walsh JPS; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA.
  • Esters M; Center for Materials Genomics, Duke University, Durham, NC, 27708, USA.
  • Meng Y; HPCAT, Geophysical Laboratory, Carnegie Institute of Washington, Argonne, IL, 60439, USA.
  • Hendon CH; Department of Chemistry and Biochemistry, University of Oregon, Eugene, OR, 97403, USA.
  • Rondinelli JM; Department of Materials Science and Engineering, Northwestern University, Evanston, IL, 60208, USA.
  • Jacobsen SD; Department of Earth and Planetary Sciences, Northwestern University, Evanston, IL, 60208, USA.
  • Freedman DE; Department of Chemistry, Northwestern University, Evanston, IL, 60208, USA.
Angew Chem Int Ed Engl ; 57(39): 12809-12813, 2018 Sep 24.
Article en En | MEDLINE | ID: mdl-30252191
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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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania

Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania