Superconducting Open-Framework Allotrope of Silicon at Ambient Pressure

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Diamond Si is a semiconductor with an indirect band gap that is the basis of modern semiconductor technology. Although many metastable forms of Si were observed using diamond anvil cells for compression and chemical precursors for synthesis, no metallic phase at ambient conditions has been reported thus far. Here we report the prediction of pure metallic Si allotropes with open channels at ambient pressure, unlike a cubic diamond structure in covalent bonding networks. The metallic phase termed P6/m-Si-6 can be obtained by removing Na after pressure release from a novel Na-Si clathrate called P6/m-NaSi6, which is predicted through first-principles study at high pressure. We identify that both P6/m-NaSi6 and P6/m-Si-6 are stable and superconducting with the critical temperatures of about 13 and 12 K at ambient pressure, respectively. The prediction of new Na-Si and Si clathrate structures presents the possibility of exploring new exotic allotropes useful for Si-based devices.
Publisher
AMER PHYSICAL SOC
Issue Date
2018-04
Language
English
Article Type
Article
Citation

PHYSICAL REVIEW LETTERS, v.120, no.15, pp.157001

ISSN
0031-9007
DOI
10.1103/PhysRevLett.120.157001
URI
http://hdl.handle.net/10203/241571
Appears in Collection
PH-Journal Papers(저널논문)
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