Abstract
The isomer shift of the Fe nucleus in the intermetallic compound Y(Fe 1− x Al x ) 2 with the C15-type Laves phase structure is discussed by calculating the charge density of the s electrons. The calculations are carried out by using the self-consistent APW method for YFe 2 and the ordered ternary compounds Y 2Fe 4 n Al n ( n = 1, 3). The calculated charge density of the 4s electrons at the Fe nucleus site is shown to decrease with increasing Al content, which is consistent with the observed isomer shift. The atomic environment effect on the isomer shift of a Fe nucleus surrounded by Al atoms is discussed.
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