We present a theoretical investigation of the observed increase in the superconducting transition temperature T c in hydrogen implanted aluminium samples over its value in pure aluminium metal. Using the recent structural data obtained by electron microscopy, which did not show (within a 1% error) any increase in the lattice parameter for hydrogen loaded samples, we have evaluated the electron-phonon coupling constant λ within the McMillan approximation. Our theoretical prediction is based on an ab initio calculation of the electronic term η using our augmented plane wave (APW) determination of the energy bands, density of states and Fermi energy properties of aluminium dihydride. For aluminium dihydride, although the Fermi level does not cut the low lying H-H antibonding bands, the hydrogen s and p states have an important contribution which leads to a large value of the electronic term at the hydrogen sites η H . In the present calculation we find η H = 1.78 eV A ̊ −2 compared with 0.64 eV Å −2 in PdH; η H is even larger than the value previously obtained by one of us for AlH 2 using a large lattice constant. The electronic contribution at the aluminium site η Al decreases by 20% from its value in pure aluminium. Our results indicate that provided the optical phonon frequencies are not too high, the electron-optical phonon coupling mechanism should contribute to the increase in T c observed in aluminium hydrides.
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