期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 114, 期 34, 页码 9009-9013出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.1704762114
关键词
high pressure; Earth's mantle; density functional theory; silicate liquids; electrical conductivity
资金
- European Research Council [291432 MoltenEarth]
- Honeywell International, Inc., for the US Department of Energy's National Nuclear Security Administration [DE-NA0003525]
Ab intio molecular dynamics simulations show that the electrical conductivity of liquid SiO2 is semimetallic at the conditions of the deep molten mantle of early Earth and super-Earths, raising the possibility of silicate dynamos in these bodies. Whereas the electrical conductivity increases uniformly with increasing temperature, it depends nonmonotonically on compression. At very high pressure, the electrical conductivity decreases on compression, opposite to the behavior of many materials. We show that this behavior is caused by a novel compression mechanism: the development of broken charge ordering, and its influence on the electronic band gap.
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