Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets

Details Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets

2000-06-06

arxiv.org/abs/cond-mat/0006076v2

Physics

Condensed Matter

Materials Science

4 pages, LaTex, 3 figures, to appear in Phys. Rev. Lett

Scientific paper

10.1103/PhysRevLett.86.348

A novel microscopic mechanism of bi-directional structural changes is proposed for the photo-induced magnetic phase transition in Co-Fe Prussian blue analogues on the basis of ab initio quantum chemical cluster calculations. It is shown that the local potential energies of various spin states of Co are sensitive to the number of nearest neighbor Fe vacancies. As a result, the forward and backward structural changes are most readily initiated by excitation of different local regions by different photons. This mechanism suggests an effective strategy to realize photoinduced reversible phase transitions in a general system consisting of two local components.

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