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Cited by 160

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Novel Structures and Superconductivity of Silane under Pressure

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Martinez-Canales, Miguel, Oganov, Artem R., Ma, Yanming, Yan, Yan, Lyakhov, Andriy O., Bergara, Aitor·2009·Physical Review Letters

Abstract

Following the suggestion that hydrogen-rich compounds, and, in particular, silane (SiH4), might be high-T_{c} superconductors at moderate pressures, very recent experiments have confirmed that silane metallises and even becomes superconducting at high pressure. In this article, we present a structural characterization of compressed silane obtained with an ab initio evolutionary algorithm for crystal structure prediction. Besides the earlier molecular and chainlike structures of P2_{1}/c and I4_{1}/a symmetries, respectively, we propose two novel structures with space groups Fdd2 and Pbcn, to be stable at 25-55 and 220-250 GPa, respectively. According to our calculations, silane becomes metallic and superconducting at 220 GPa in the layered Pbcn structure, with a theoretical T_{c} of 16 K. Our calculations also show that the imaginary phonons of the recently proposed P6_{3} generate the Pbcn structure.

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Metadata

Authors
Martinez-Canales, M., Oganov, A. R., Ma, Y., Yan, Y., Lyakhov, A. O., & Bergara, A.
Venue
Physical Review Letters
Published
2009-02-27
Volume
102
Issue
8
Pages
087005-087005
ISSN
  • 0031-9007 (ISSN-L)
  • 1079-7114
OpenAlex
W2146037467
Cited by
160
References
1
FWCI
14.83
Type
journal article
Language
en
Open access
green

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CoChat. (2026). Citation check: Novel Structures and Superconductivity of Silane under Pressure. https://app.cochat.ai/papers/10.1103/physrevlett.102.087005
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Martinez-Canales, M., Oganov, A. R., Ma, Y., Yan, Y., Lyakhov, A. O., & Bergara, A. (2009). Novel Structures and Superconductivity of Silane under Pressure. Physical Review Letters. https://doi.org/10.1103/physrevlett.102.087005

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