| Literature DB >> 28784773 |
Roberto Scipioni1, Lars Stixrude2, Michael P Desjarlais3.
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.Entities:
Keywords: Earth’s mantle; density functional theory; electrical conductivity; high pressure; silicate liquids
Year: 2017 PMID: 28784773 PMCID: PMC5576803 DOI: 10.1073/pnas.1704762114
Source DB: PubMed Journal: Proc Natl Acad Sci U S A ISSN: 0027-8424 Impact factor: 11.205