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Self-consistent field electronic structure calculations for compressed magnesium oxide
Authors:David A. Liberman
Affiliation:Theoretical Division, Los Alamos Scientific Laboratory, Los Alamos, NM 87545, U.S.A.
Abstract:Recently there have been reports that magnesium oxide and other ionic solids have been converted into metallic conductors when subjected to pressures of about 1 Mbar. Electronic structure calculations for compressed magnesium oxide indicate that the gap between valence and conduction bands does not close until much higher pressures are reached—perhaps around 50 Mbar.
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