Discovery of Cu3Pb

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.

Keywords: X-ray crystallography; diamond anvil cells; high-pressure synthesis; intermetallic compounds; metastable materials.