Abstract
We report very small 27Al metallic shifts in a series of Cu–Zr–Al bulk metallic glasses. This observation and theKorringa type of spin–lattice relaxation behavior suggest that s-character wavefunctionsweakly participate in bonding and opens the possibility of enhanced covalency (pdhybridization) with increasing Al concentration, in good agreement with elastic constantsand hardness measurements. Moreover, ab initio calculations show that this bondingcharacter originates from the strong Al 3p band and Zr 4d band hybridizationsince their atomic energy levels are closer to each other while the Al 3s band islocalized far below the Fermi level. This study might provide a chemical view forunderstanding flow and fracture mechanisms of these bulk glass-forming alloys.
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