Possible High-Temperature Superconductivity in Hygrogenated Fluorine

Abstract

Abstract Recent computational studies confirmed by experiment have established the occurrence of superconducting temperatures, Tc, near 200 K when the pressure is close to 200 GPa in the compound H3S. Motivated by these findings we investigate in this work the possibility of discovering high-temperature superconductivity in the material H3F. We performed linearized augmented plane wave(LAPW) calculations followed by the determination of the angular momentum components of the density of states, the scattering phase shifts at the Fermi level and the electron-ion matrix element known as the Hopfield parameter. Our calculated Hopfield parameters are much larger than those found in H3S suggesting that they may lead to large electron-phonon coupling constant and hence a large Tc similar or even larger than that of H3S. However, calculations of elastic constants are inconclusive regarding the stability of this material.