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| 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 Publication | Geophysical Research Letters (IF:4.253[JCR-2016],4.579[5-Year]) |
| Volume | 43Issue:12Pages:6228-6233 |
| Abstract | Materials 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 By | SCI |
| Language | 英语 |
| Document Type | 期刊论文 |
| Identifier | http://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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