Modulated structure of β-brass CuZn compressed to 90 GPa

Abstract

Cu–Zn is a classic example of an alloy system displaying a sequence of phases along an alloy composition, called Hume-Rothery phases. The crystal structure of these phases is determined by valence electron concentration (that is the average number of valence electrons per atom), and the lowering of the electronic energy is considered the key factor for the structure stabilization. Using powder x-ray diffraction, we study the β-phase of an equiatomic CuZn alloy in its body-centered cubic (bcc) phase in the pressure range up to 90 GPa and find a transformation to a modulated trigonal structure at around 40 GPa. We analyze the structural distortion of bcc CuZn by looking at the configuration of the Brillouin zone of the bcc and the trigonal structures and their interaction with the Fermi surface. We demonstrate that the stabilization of the complex high-pressure structure can be explained with the Hume-Rothery effect.