Abstract
The isomer shift of Fe nucleus in intermetallic compound Y(Fe 1− x Al x ) 2 with the C15-type Laves phase structure is discussed by calculating the charge density of s electrons in the local density approximation and the self-consistent APW method. The calculated charge density of the 4selectrons at the Fe nucleus position is shown to decrease with increasing Al content, which is consistent with the observed isomer shift. The atomic environment effect on isomer shift of the Fe nucleus surrounded by the Al atoms are discussed.
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