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Pressure-induced transition to Ni2In-type phase in lithium sulfide (Li2S)

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Barkalov,  Oleg
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Naumov,  Pavel G.
Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Felser,  Claudia
Claudia Felser, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Medvedev,  Sergey A.
Sergiy Medvediev, Inorganic Chemistry, Max Planck Institute for Chemical Physics of Solids, Max Planck Society;

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Citation

Barkalov, O., Naumov, P. G., Felser, C., & Medvedev, S. A. (2016). Pressure-induced transition to Ni2In-type phase in lithium sulfide (Li2S). Solid State Sciences, 61, 220-224. doi:10.1016/j.solidstatesciences.2016.10.002.


Cite as: https://hdl.handle.net/11858/00-001M-0000-002C-19F0-1
Abstract
Raman spectroscopy and synchrotron angle-dispersive X-ray diffraction were applied to investigate pressure-induced phase transitions in lithium sulfide (Li2S). We observed two reversible transitions, first from the cubic antifluorite (Fm (3) over barm) phase to an orthorhombic anticotunnite (Pnma) phase at about 13 GPa, followed by a transition to the hexagonal Ni2In- type (P6(3)/mmc) structure above 30 GPa, as previously predicted by ab initio density functional theory calculations. (C) 2016 Elsevier Masson SAS. All rights reserved.