Campus Units

Ames Laboratory, Chemistry

Document Type

Article

Publication Version

Published Version

Publication Date

2006

Journal or Book Title

Chemistry of Materials

Volume

18

Issue

7

First Page

1848

Last Page

1856

DOI

10.1021/cm0526415

Abstract

A series of γ-brass related structures in the Zn-rich portion of the Zn−Pd phase diagram (ca. 80 at % Zn) is investigated using single-crystal diffraction and tight-binding electronic-structure calculations. Earlier research identified regular arrays of inversion antiphase domains (IAPDs) over a narrow composition range but did not report any characteristic superstructure(s) over the same range. Single-crystal X-ray diffraction allowed for the identification of lattice constants for six “phases” in Zn1-xPdx (0.15 < x < 0.25), and refinements of two crystal structures indicate two important potential building blocks for the intermediate compositions, one of these being the cubic γ-brass structure. A Farey tree construction is described that accounts for the observed long-period superlattice and provides a possible algorithm for targeting one-dimensional, quasiperiodic phases in this and related systems. Tight-binding electronic-structure calculations on the two limiting structures for this region of the Zn−Pd phase diagram suggest a relationship between structure and bonding in these complex intermetallic systems.

Comments

Reprinted (adapted) with permission from Chem. Mater., 2006, 18 (7), pp 1848–1856. Copyright 2006 American Chemical Society.

Copyright Owner

American Chemical Society

Language

en

File Format

application/pdf

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