Projected surface energy bands, Shockley surface states and stability of ordered substitutional alloys with CsCl structure: The example of β'-CuZn

Abstract

Qualitative theory of Shockley surface states is applied to β'-CuZn with the aim to analyse the character and location of its hybridizational gaps and to draw general conclusions on other ordered substitutional alloys with CsCl structure as well. The results are used to propose the role which hybridizational gaps and chemical bonding can play in order-disorder phenomena of such alloys. Some special questions of relevance to these phenomena are also qualitatively discussed.