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Pressure-stabilized superconductive yttrium hydrides
Open accessAbstract
The search for high-temperature superconductors has been focused on compounds containing a large fraction of hydrogen, such as SiH 4(H 2)2, CaH 6 and KH 6. Through a systematic investigation of yttrium hydrides at different hydrogen contents using an structure prediction method based on the particle swarm optimization algorithm, we have predicted two new yttrium hydrides (YH 4 andYH 6), which are stable above 110 GPa. Three types of hydrogen species with increased H contents were found, monatomic H in YH 3, monatomic H+molecular “H 2” in YH 4 and hexagonal “H 6” unit in YH 6. Interestingly, H atoms in YH 6 form sodalite-like cage sublattice with centered Y atom. Electron-phonon calculations revealed the superconductive potential of YH 4 and YH 6 with estimated transition temperatures (Tc) of 84–95 K and 251–264 K at 120 GPa, respectively. These values are higher than the predicted maximal Tc of 40 K in YH 3.
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From ultrasoft pseudopotentials to the projector augmented-wave method
Kresse, G., & Joubert, D. (1999) · Physical Review B · doi:10.1103/physrevb.59.1758 · Cited by 85,307
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Synthesis and Stability of Lanthanum Superhydrides
Geballe, Z. M., Liu, H., Mishra, A. K., Ahart, M., Somayazulu, M., Meng, Y., Baldini, M., & Hemley, R. J. (2018) · Angewandte Chemie International Edition · doi:10.1002/anie.201709970 · Cited by 299
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Metadata
- Authors
- Li, Y., Hao, J., Liu, H., Tse, J. S., Wang, Y., & Ma, Y.
- Venue
- Scientific Reports
- Published
- 2015-05-05
- Volume
- 5
- Issue
- 1
- Pages
- 9948-9948
- ISSN
- 2045-2322 (ISSN-L)
- OpenAlex
- W2270063956
- Cited by
- 387
- References
- 1
- FWCI
- 23.51
- Type
- journal article
- Language
- en
- Open access
- gold
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- Li, Y., Hao, J., Liu, H., Tse, J. S., Wang, Y., & Ma, Y. (2015). Pressure-stabilized superconductive yttrium hydrides. Scientific Reports. https://doi.org/10.1038/srep09948
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