1. Nanodomain fragmentation and local rearrangements in CdSe under pressure.
- Author
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Leoni, Stefano, Ramlau, Reiner, Meier, Katrin, Schmid, Marcus, and Schwarz, Ulrich
- Subjects
FERROMAGNETIC materials ,MAGNETIC domain ,SOLID state physics ,FRAGMENTATION reactions ,MOLECULAR dynamics ,SPHALERITE ,WURTZITE ,CADMIUM compounds ,REARRANGEMENTS (Chemistry) - Abstract
Structural transformations in extended solids result from local atomic rearrangements and phase growth mechanisms. A broad class of technologically relevant properties critically depends on local structural issues connected with domain sizes, domain boundary geometries, and defects. However, a precise understanding of structural transformation mechanisms and domain formation is still an open question. Here, we demonstrate the feasibility of very detailed mechanistic investigations in real materials as a prerequisite for intelligent property control. We address the problem of domain fragmentation in bulk CdSe under pressure, jointly by molecular dynamics simulations, high-pressure experiments, and HR-TEM imaging. We show that domain fragmentation is taking place in the high-pressure regime, where nucleation events generate both zinc blende (B3) and wurtzite (B4) structural motifs and, in turn, cause the final lamellar appearance observable by highresolution TEM. A changed nucleation pattern and a modified B3/B4 ratio represents the system's response to modified external stress conditions. [ABSTRACT FROM AUTHOR]
- Published
- 2008
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