The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
High-pressure crystal structures and superconductivity of Stannane (SnH 4 )
Open accessAbstract
There is great interest in the exploration of hydrogen-rich compounds upon strong compression where they can become superconductors. Stannane (SnH 4 ) has been proposed to be a potential high-temperature superconductor under pressure, but its high-pressure crystal structures, fundamental for the understanding of superconductivity, remain unsolved. Using an ab initio evolutionary algorithm for crystal structure prediction, we propose the existence of two unique high-pressure metallic phases having space groups Ama 2 and P 6 3 / mmc , which both contain hexagonal layers of Sn atoms and semimolecular (perhydride) H 2 units. Enthalpy calculations reveal that the Ama 2 and P 6 3 / mmc structures are stable at 96–180 GPa and above 180 GPa, respectively, while below 96 GPa SnH 4 is unstable with respect to elemental decomposition. The application of the Allen-Dynes modified McMillan equation reveals high superconducting temperatures of 15–22 K for the Ama 2 phase at 120 GPa and 52–62 K for the P 6 3 / mmc phase at 200 GPa.
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Cites
Crystal structure prediction using ab initio evolutionary techniques: Principles and applications
Oganov, A. R., & Glass, C. W. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2210932 · Cited by 2,596
Cited by
Crystal structure prediction via particle-swarm optimization
Wang, Y., Lv, J., Zhu, L., & Ma, Y. (2010) · Physical Review B · doi:10.1103/physrevb.82.094116 · Cited by 2,747
Self-citationHow Evolutionary Crystal Structure Prediction Works—and Why
Oganov, A. R., Lyakhov, A. O., & Valle, M. (2011) · Accounts of Chemical Research · doi:10.1021/ar1001318 · Cited by 1,240
Self-citationPeng, F., Sun, Y., Pickard, C. J., Needs, R. J., Wu, Q., & Ma, Y. (2017) · Physical Review Letters · doi:10.1103/physrevlett.119.107001 · Cited by 955
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Metadata
- Authors
- Gao, G., Oganov, A. R., Li, P., Li, Z., Wang, H., Cui, T., Ma, Y., Bergara, A., Lyakhov, A. O., Iitaka, T., & Zou, G.
- Venue
- Proceedings of the National Academy of Sciences
- Published
- 2010-01-06
- Volume
- 107
- Issue
- 4
- Pages
- 1317-1320
- ISSN
- 0027-8424 (ISSN-L)
- 1091-6490
- OpenAlex
- W2124610486
- Cited by
- 184
- References
- 1
- FWCI
- 14.87
- Type
- journal article
- Language
- en
- Open access
- green
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- Gao, G., Oganov, A. R., Li, P., Li, Z., Wang, H., Cui, T., Ma, Y., Bergara, A., Lyakhov, A. O., Iitaka, T., & Zou, G. (2010). High-pressure crystal structures and superconductivity of Stannane (SnH 4 ). Proceedings of the National Academy of Sciences. https://doi.org/10.1073/pnas.0908342107
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