High Pressure Stabilization and Emergent Forms of ${\mathrm{PbH}}_4$

Journal Article · Mon Jul 11 00:00:00 EDT 2011 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.107.037002· OSTI ID:1065735

Zaleski-Ejgierd, Patryk ^[1]; Hoffmann, Roald ^[2]; Ashcroft, N. W. ^[1]

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1. Cornell Univ., Ithaca, NY (United States). Lab. of Atomic and Solid State Physics (LASSP), Cornell Center for Materials Research (CCMR)
2. Cornell Univ., Ithaca, NY (United States). Baker Lab., Dept. of Chemistry and Chemical Biology

A wide decomposition pressure range of 132 GPa is predicted for PbH₄ above which it emerges in very different forms compared with its group-14 congeners. This triply Born-Oppenheimer system is a nonmolecular, three-dimensional, metallic alloy, despite a prominent layered structure. A significant number of enthalpically near-degenerate structures, with exceedingly small energy barriers for distortions, and characteristic instabilities in the phonon spectra suggest that even at very high pressures PbH₄ may exhibit both metallic and liquidlike properties and sublattice or even full melting.

• Research Organization: Energy Frontier Research Centers (EFRC) (United States). Energy Frontier Research in Extreme Environments (EFree)
• Sponsoring Organization: USDOE Office of Science (SC), Basic Energy Sciences (BES)
• DOE Contract Number: SC0001057
• OSTI ID: 1065735
• Journal Information: Physical Review Letters, Vol. 107, Issue 3; Related Information: EFree partners with Carnegie Institution of Washington (lead); California Institute of Technology; Colorado School of Mines; Cornell University; Lehigh University; Pennsylvania State University; ISSN 0031-9007: PRLTAO
• Publisher: American Physical Society (APS)
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
catalysis (heterogeneous)
solar (photovoltaic)
phonons
thermoelectric
energy storage (including batteries and capacitors)
hydrogen and fuel cells
superconductivity
charge transport
mesostructured materials
materials and chemistry by design
synthesis (novel materials)