Further band theory arguments elucidating the nature of the ordered state of the CsCl type alloy β'-CuZn

Abstract

Partial wave analysis together with the qualitative analysis of hybridization in β'-CuZn is used to shed more light on special bonding conditions in which stability of this phase might originate. Results support the legitimacy of the so-called polar model of this phase. Analogy to the ordered Cu3Au alloy is mentioned, the difference being that the latter stabilizes due to a pure superstructure effect. Shockley surface states found recently on the (111) surface of Cu3Au are to be expected on the same face of α-CuZn as well.