Cardiff University | Prifysgol Caerdydd ORCA
Online Research @ Cardiff 
WelshClear Cookie - decide language by browser settings

Nanodomain fragmentation and local rearrangements in CdSe under pressure

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

Full text not available from this repository.

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: 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

Citation Data

Cited 27 times in Scopus. View in Scopus. Powered By Scopus® Data

Actions (repository staff only)

Edit Item Edit Item