Title

B.c.c.-f.c.c. allotropy, F-bands, and metallization in xenon and krypton

Document Type

Article

Publication Date

1-1-1982

Abstract

APW-Xα calculations of a f.c.c.-b.c.c. phase transition in Xe prior to metallization give P ≥ 950 kbar, contrary to the 820 kbar result of Hama and Matsui; their use of non-touching APW spheres (f.c.c.) may be the crucial difference. Hartree-Fock plus correlation calculations in Kr indicate that f-bands play no role in rare gas crystal metallization. © 1982.

Publication Title

Solid State Communications

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