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- W2403031254 abstract "Motivated by the recent report of superconductivity above 200 K in ultra-dense hydrogen sulfide, we search for high-tc conventional superconductivity in the phase diagram of the binary Li-S system, using {em ab-initio} methods for crystal structure prediction and linear response calculations for the electron-phonon coupling. We find that at pressures higher than 20 GPa, several new compositions, besides the known Li$_2$S, are stabilized; many exhibit electride-like {em interstitial} charge localization observed in other alkali metal compounds. Of all predicted phases, only Li$_3$S at P > 640 GPa displays a sizable tc, in contrast to what is observed in sulfur and phosphorus hydrides, where several stoichiometries lead to high tc. We attribute this difference to 2$s$-2$p$ hybridization and avoided core overlap, and predict similar behavior for other alkali metal compounds." @default.
- W2403031254 created "2016-06-24" @default.
- W2403031254 creator A5004070014 @default.
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- W2403031254 date "2016-08-01" @default.
- W2403031254 modified "2023-10-05" @default.
- W2403031254 title "Search for high-<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:msub><mml:mi>T</mml:mi><mml:mi>c</mml:mi></mml:msub></mml:math>conventional superconductivity at megabar pressures in the lithium-sulfur system" @default.
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- W2403031254 doi "https://doi.org/10.1103/physrevb.94.060502" @default.
- W2403031254 hasPublicationYear "2016" @default.
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