Leoni, Stefano  ORCID: https://orcid.org/0000-0003-4078-1000, Ramlau, Reiner, Meier, Katrin, Schmidt, Marcus and Schwarz, Ulrich
2008.
Nanodomain fragmentation and local rearrangements in CdSe under pressure.
Proceedings of the National Academy of Sciences of the United States of America
105
(50)
, pp. 19612-19616.
10.1073/pnas.0805235105
|
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 high-resolution TEM. A changed nucleation pattern and a modified B3/B4 ratio represents the system's response to modified external stress conditions.
| Item Type: | Article |
|---|---|
| Date Type: | Publication |
| Status: | Published |
| Schools: | Schools > Chemistry |
| Subjects: | Q Science > QD Chemistry |
| Uncontrolled Keywords: | domains; metastable phases; molecular dynamics; polymorphism; solid–solid phase transition |
| Publisher: | National Academy of Sciences |
| ISSN: | 0027-8424 |
| Last Modified: | 25 Oct 2022 08:02 |
| URI: | https://orca.cardiff.ac.uk/id/eprint/51186 |
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