Evidence for Superconductivity above 260 K in Lanthanum Superhydride at Megabar Pressures

The high pressure structures, metallization, and superconductivity of recently synthesized H2-containing compounds (H2S)2H2 are elucidated by ab initio calculations. The ordered crystal structure with P1 symmetry is determined, supported by the good agreement between theoretical and experimental X-ray diffraction data, equation of states, and Raman spectra. The Cccm structure is favorable with partial hydrogen bond symmetrization above 37 GPa. Upon further compression, H2 molecules disappear and two intriguing metallic structures with R3m and Im-3m symmetries are reconstructive above 111 and 180 GPa, respectively. The predicted metallization pressure is 111 GPa, which is approximately one-third of the currently suggested metallization pressure of bulk molecular hydrogen. Application of the Allen-Dynes-modified McMillan equation for the Im-3m structure yields high T c values of 191 K to 204 K at 200 GPa, which is among the highest values reported for H2-rich van der Waals compounds and MH3 type hydride thus far. Show more

A superconductor is a material that can conduct electricity with no resistance below its critical temperature (Tc). The highest Tc that has been achieved in cuprates1 is 133 K at ambient pressure2 and 164 K at high pressures3. As the nature of superconductivity in these materials has still not been explained, the prospects for a higher Tc are not clear. In contrast, the Bardeen-Cooper-Schrieffer (BCS) theory gives a guide for achieving high Tc and does not put bounds on Tc, all that is needed is a favorable combination of high frequency phonons, strong electron-phonon coupling, and a high density of states. These conditions can be fulfilled for metallic hydrogen and covalent compounds dominated by hydrogen4,5. Numerous calculations support this idea and predict Tc of 50-235 K for many hydrides6 but only moderate Tc=17 K has been observed experimentally7. Here we studied sulfur hydride8 where a Tc~80 K was predicted9. We found that it transforms to a metal at pressure ~90 GPa. With cooling superconductivity was found deduced from a sharp drop of the resistivity to zero and a decrease of Tc with magnetic field. The pronounce isotope shift of Tc in D2S is evidence of an electron-phonon mechanism of superconductivity that is consistent with the BCS scenario. The superconductivity has been confirmed by magnetic susceptibility measurements with Tc=203K. The high Tc superconductivity most likely is due to H3S which is formed from H2S under its decomposition under pressure. Even higher Tc, room temperature superconductivity, can be expected in other hydrogen-based materials since hydrogen atoms provide the high frequency phonon modes as well as the strong electron-phonon coupling. Show more