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The Fermi surface topology of $cI$16 Li at high pressures is studied using a recently developed first-principles unfolding method. We find the occurrence of a Lifshitz transition at $sim$43 GPa, which explains the experimentally observed anomalous onset of the superconductivity enhancement toward lowered pressure. Furthermore we identify, in comparison with previous reports, additional nesting vectors that contribute to the $cI$16 structural stability. Our study highlights the importance of three-dimensional unfolding analyses for first-principles studies of Fermi surface topologies and instabilities in general.
Due to its low atomic mass hydrogen is the most promising element to search for high-temperature phononic superconductors. However, metallic phases of hydrogen are only expected at extreme pressures (400 GPa or higher). The measurement of a record su
A lithium-doped magnesium hydride Li$_2$MgH$_{16}$ was recently reported [Y. Sun $et$ $al$., Phys. Rev. Lett. {bf 123}, 097001 (2019)] to exhibit the highest ever predicted superconducting transition temperature $T_{rm c}$ under high pressure. Based
A huge enhancement of the superconducting transition temperature Tc was observed in tetragonal FeSe superconductor under high pressure. The onset temperature became as high as 27 K at 1.48 GPa and the pressure coefficient showed a huge value of 9.1 K
The discovery of high-temperature conventional superconductivity in H3S with a critical temperature of Tc=203 K was followed by the recent record of Tc ~250 K in the face-centered cubic (fcc) lanthanum hydride LaH10 compound. It was realized in a new
Structural and superconducting transitions of layered van der Waals (vdW) hydrogenated germanene (GeH) were observed under high-pressure compression and decompression processes. GeH possesses a superconducting transition at critical temperature (Tc)