AlH3 between 65 and 110 GPa: Implications of electronic band and phonon structures

作者：Islam A K M A^*; Ali M M; Ali M L

来源：Physica C-Superconductivity and Its Applications, 2010, 470(7-8): 403-406.

DOI：10.1016/j.physc.2010.02.091

• AlH3
• Electronic structure
• Phonon dynamics
• Superconductivity

A first-principles density-functional-theory method has been used to reinvestigate the mechanical and dynamical stability of the metallic phase of AlH3 between 65 and 110 GPa. The electronic properties and phonon dynamics as a function of pressure are also explored. We find electron-phonon superconductivity in the cubic Pm-3n structure with critical temperature T-c = 37 K at 70 GPa which decreases rapidly with the increase of pressure. Further unlike a previously calculated T-c-value of 24 K at 110 GPa, we do not find any superconductivity of significance at this pressure which is consistent with experimental observation.

• 出版日期2010-4-1