Structural Diversity and Superconductivity in S–P–H Ternary Hydrides under Pressure

  title={Structural Diversity and Superconductivity in S–P–H Ternary Hydrides under Pressure},
  author={Nisha Geng and Tiange Bi and Eva Zurek},
  journal={The Journal of Physical Chemistry C},
Evolutionary structure searches revealed a plethora of stable and low-enthalpy metastable phases in the S-P-H ternary phase diagram under pressure. A wide variety of crystalline structure types were uncovered ranging from those possessing one-dimensional chains, twodimensional sheets based on S-H or S-P-H square lattices as well as S-H or P-H honeycombs, and cage-like structures. Some of the cage-like structures could be derived from doping the high-pressure high-temperature superconducting Im3… 
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Tianchun Wang,1, ∗ Motoaki Hirayama,1, 2 Takuya Nomoto,1 Takashi Koretsune,3 Ryotaro Arita,1, 2 and José A. Flores-Livas4, 2, † Department of Applied Physics, University of Tokyo, Tokyo 113-8656,