GYIG OpenIR  > 地球内部物质高温高压实验室  > 期刊论文
First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones
Yu He; Yang Sun; Xia Lu; Jian GaoHong Li; Heping Li
2016
Source PublicationGeophysical Research Letters
Volume43Issue:12Pages:6228-6233
AbstractMaterials sharing the hollandite structure were widely reported as fast ionic conductors. However, the ionic conductivity of KAlSi3O8 hollandite (K-hollandite), which can be formed during the subduction process, has not been investigated so far. Here first-principles calculations are used to investigate the potassium ion (K+) transport properties in K-hollandite. The calculated K+ migration barrier energy is 0.44 eV at a pressure of 10 GPa, an energy quite small to block the K+ migration in K-hollandite channels. The calculated ionic conductivity of K-hollandite is highly anisotropic and depends on its concentration of K+ vacancies. About 6% K+ vacancies in K-hollandite can lead to a higher conductivity compared to the conductivity of hydrated wadsleyite and ringwoodite in the mantle. K+ vacancies being commonly found in many K-hollandite samples with maximum vacancies over 30%, the formation of K-hollandite during subduction of continental or alkali-rich oceanic crust can contribute to the high conductivity anomalies observed in subduction zones.
Subject Area地球深部物质与流体作用地球化学
Indexed BySCI
Language英语
Document Type期刊论文
Identifierhttp://ir.gyig.ac.cn/handle/352002/6521
Collection地球内部物质高温高压实验室_地球内部物质高温高压实验室_期刊论文
Recommended Citation
GB/T 7714
Yu He,Yang Sun,Xia Lu,et al. First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones[J]. Geophysical Research Letters,2016,43(12):6228-6233.
APA Yu He,Yang Sun,Xia Lu,Jian GaoHong Li,&Heping Li.(2016).First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones.Geophysical Research Letters,43(12),6228-6233.
MLA Yu He,et al."First-principles prediction of fast migration channels of potassium ions in KAlSi3O8 hollandite: Implications for high conductivity anomalies in subduction zones".Geophysical Research Letters 43.12(2016):6228-6233.
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