On the vacancy formation energy and volume of simple cubic metals

A derivation of the vacancy formation energy and volume is given within the framework of local pseudopotential theory. Numerical results are presented for the alkalis and for Al. The theory is based on the previous work of Ho (1971) but with some modifications and extensions. The differences are not numerically very significant in the alkalis but are critical in Al for which the authors obtain satisfactory results while Ho's theory failed.