Collect. Czech. Chem. Commun. 1983, 48, 2454-2463

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

Mojmír Tomášeka, Štěpán Picka and Mojmír Šobb

a The J. Heyrovský Institute of Physical Chemistry and Electrochemistry, Czechoslovak Academy of Sciences, 121 38 Prague 2
b Institute of Physical Metallurgy, Czechoslovak Academy of Sciences, 616 62 Brno


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.