Self-consistent field electronic structure calculations for compressed magnesium oxide |
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Authors: | David A. Liberman |
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Affiliation: | Theoretical Division, Los Alamos Scientific Laboratory, Los Alamos, NM 87545, U.S.A. |
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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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