Electrical conductivity of SiO2 at extreme conditions and planetary dynamos
Abstract
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.
- Authors:
-
- Univ. College London, Bloomsbury (United Kingdom)
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Publication Date:
- Research Org.:
- Sandia National Lab. (SNL-NM), Albuquerque, NM (United States)
- Sponsoring Org.:
- USDOE National Nuclear Security Administration (NNSA)
- OSTI Identifier:
- 1497658
- Report Number(s):
- SAND-2017-4291J
Journal ID: ISSN 0027-8424; 672238
- Grant/Contract Number:
- AC04-94AL85000; NA0003525
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Proceedings of the National Academy of Sciences of the United States of America
- Additional Journal Information:
- Journal Volume: 114; Journal Issue: 34; Journal ID: ISSN 0027-8424
- Publisher:
- National Academy of Sciences, Washington, DC (United States)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 58 GEOSCIENCES; high pressure; Earth’s mantle; density functional theory; silicate liquids; electrical conductivity
Citation Formats
Scipioni, Roberto, Stixrude, Lars, and Desjarlais, Michael P. Electrical conductivity of SiO2 at extreme conditions and planetary dynamos. United States: N. p., 2017.
Web. doi:10.1073/pnas.1704762114.
Scipioni, Roberto, Stixrude, Lars, & Desjarlais, Michael P. Electrical conductivity of SiO2 at extreme conditions and planetary dynamos. United States. https://doi.org/10.1073/pnas.1704762114
Scipioni, Roberto, Stixrude, Lars, and Desjarlais, Michael P. Mon .
"Electrical conductivity of SiO2 at extreme conditions and planetary dynamos". United States. https://doi.org/10.1073/pnas.1704762114. https://www.osti.gov/servlets/purl/1497658.
@article{osti_1497658,
title = {Electrical conductivity of SiO2 at extreme conditions and planetary dynamos},
author = {Scipioni, Roberto and Stixrude, Lars and Desjarlais, Michael P.},
abstractNote = {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.},
doi = {10.1073/pnas.1704762114},
journal = {Proceedings of the National Academy of Sciences of the United States of America},
number = 34,
volume = 114,
place = {United States},
year = {Mon Aug 07 00:00:00 EDT 2017},
month = {Mon Aug 07 00:00:00 EDT 2017}
}
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Figures / Tables:
Figure 1: Ab initio electrical conductivity computed with PBEsol (full lines and closed symbols) and with HSE06 (open symbols). We also compare with the Mott-Ziman theoy (dashed lines, see text) and the minimum metallic conductivity of Mott (16) (grey band) .
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