Size dependence of the pressure-induced phase transition in nanocrystals

Details Size dependence of the pressure-induced phase transition in nanocrystals Size dependence of the pressure-induced phase transition in nanocrystals

2008-01-03

arxiv.org/abs/0801.0468v1

Physics

Condensed Matter

Mesoscale and Nanoscale Physics

13 pages and 3 figures. to be appeared in J Phys Chem C

Scientific paper

Extending the recently-developed bond-order-length-strength (BOLS) correlation mechanism [Sun CQ, Prog Solid State Chem 2007, 35, 1-159] to the pressure domain has led to atomistic insight into the phase stability of nanostructures under the varied stimuli of pressure and solid size. It turns out that the competition between the pressure-induced overheating (TC elevation) and the size-induced undercooling (TC depression) dominates the measured size trends of the pressure-induced phase transition. Reproduction of the measured size and pressure dependence of the phase stability for CdSe, Fe2O3, and SnO2 nanocrystals evidences the validity of the solution derived from the perspective of atomic cohesive energy and its response to the external stimulus.

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