Neutron spectroscopy of gamma-MgH2

Under ambient conditions, magnesium dihydride exists in two forms, alpha-MgH2 (the most stable modification) and gamma-MgH2 (a less stable modification). The alpha-phase partly transforms to gamma-MgH2 in the course of ball-milling and under high pressure and temperature. Due to the high hydrogen content of 7.6 wt.{\%}, MgH2 has been intensively studied as a prospective material for hydrogen storage. By exposing of alpha-MgH2 to a pressure of 5 GPa and temperature 840 K, we prepared a sample, in which about 60{\%} of the alpha-MgH2 was transformed to gamma-MgH2. We have measured inelastic neutron scattering (INS) spectra of both the high pressure treated MgH2 and starting alpha-MgH2, and extracted the spectrum for gamma-MgH2. The differences between the INS spectra and their agreement with the first-principles calculations for these compounds will be discussed.