The Zintl Concept Applied to Intergrowth Structures: Electron‐Hole Matching, Stacking Preferences, and Chemical Pressures in Pd5InAs
Joseph D. Kraus,
Jonathan S. Van Buskirk,
Daniel C. Fredrickson
Abstract:Enumerating the potential stacking sequences of layers is a fundamental way to account for the structure diversity of solid state compounds. In many cases, these stacking variations represent polymorphs with only small energetic differences. Here, we examine a compound for which the preferred stacking pattern instead reveals key aspects about its chemical bonding: Pd5InAs. Its structure is based on the intergrowth of slabs of the AuCu3 and PtHg2 (or alternatively, fluorite) structure types. Two basic stacking … Show more
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