Local atomic arrangements and electronic structure of Zr-Ni-Al bulk metallic glass

Internal energy of a bulk metallic glass (BMG) was investigated by making full use of its relevant crystals. The local atomic arrangements commonly existing both in the BMG and the relevant crystals were identified using experimentally determined radial distribution functions. The electronic structure of the relevant crystals was investigated by discrete variational X alpha (DVXα) cluster calculations and high-resolution photoemission spectroscopy. The present analysis on the electronic structure revealed that the simultaneous formations of characteristic cluster levels and a pseudogap at the Fermi level effectively reduce the internal energy to stabilize BMGs