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Superconductivity in S-rich phases of lanthanum sulfide under high pressure

Authors: K. Gao, W. Cui, Q. Wang, J. Hao, J. Shi, S. Botti, M.A.L. Marques, and Y. Li

Ref.: Phys. Rev. Mater. 6, 064801 (2022)

Abstract: Pressure, a fundamental thermodynamic variable, enables phase transitions to exotic phases with unique physical properties, such as superconductivity. In this work we perform a complete study of crystal structures and relevant electronic properties of La-S crystalline systems in a pressure range of 0–200 GPa. A structural search based on first-principles swarm-intelligence identifies two hitherto unknown pressure-stabilized stoichiometries, namely, LaS₃ and LaS₅, in addition to the previously reported compounds. We find that the S-S bonding patterns in La-S compounds evolve in the following sequence with increasing S content and pressure: Atomic S, S₂ dimers, one-dimensional linear S chains, and two-dimensional S ladders. Further electron-phonon calculations show that both LaS₃ and LaS₅ are superconductors with critical temperatures of 13.6 K at 100 GPa and 11 K at 120 GPa, respectively. The softened acoustic phonon branches are responsible for their superconductivity. Our current work is expected to guide future experimental studies investigating superconductivity and structural features of La-S system and more, in general, of other rare-earth chalcogenides.

Citations: 2 (Google scholar)

DOI: 10.1103/PhysRevMaterials.6.064801

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Bibtex:

@article{Gao_2022,
	doi = {10.1103/physrevmaterials.6.064801},
	url = {https://doi.org/10.1103%2Fphysrevmaterials.6.064801},
	year = 2022,
	month = {jun},
	publisher = {American Physical Society ({APS})},
	volume = {6},
	number = {6},
	author = {Kun Gao and Wenwen Cui and Qinfang Wang and Jian Hao and Jingming Shi and Silvana Botti and Miguel A. L. Marques and Yinwei Li},
	title = {Superconductivity in S-rich phases of lanthanum sulfide under high pressure},
	journal = {Physical Review Materials}
}