First-principles studies on the intrinsic stability of the magicFe13O8cluster

Abstract
Complementary to our previous study [Wang et al., Phys. Rev. B 59, 12 672 (1999)], the intrinsic stability of the magic Fe13O8 cluster is confirmed by the calculations on the vibrational properties. For all the vibration modes, the frequency is positive, and therefore the structure is dynamically stable. A1g, B1g, and B2g modes are Raman active, A2g, A2u, and Eu modes are infrared active, while the Eg mode is active both in Raman and in infrared spectroscopy. The intrinsic stability combined with the relative stability make this cluster to be magic.