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An electro-elastic theory for the mechanically-assisted photo-induced spin transition in core-shell spin-crossover nanoparticles
Journal
Physical Chemistry Chemical Physics
Date Issued
2018
Author(s)
Boukheddaden, Kamel
Abstract
The development of heterostructure materials may lead to new features that cannot be obtained with natural materials. Here we simulate a model structurally hybrid core-shell nanoparticle with different lattice parameters between an electronically inert shell and an active spin crossover core. The nanoparticle consists of a 2D core with 20 × 20 size with square symmetry, surrounded by a shell made of 10 atomic layers. The low temperature photoexcitation of the core shows a significant environment-dependent behavior. In particular, we demonstrate that a shell with a large lattice parameter accelerates the low-spin to high-spin photoexcitation process of the core through the single domain nucleation mechanism while a moderate shell lattice parameter leads to spatially-homogeneous growth of the high-spin fraction. We found that the mechanical retro-action of the shell may cause elastic instability of the core leading to efficient control and manipulation of its photo-conversion.
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