Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets
Novel mechanism of photoinduced reversible phase transitions in molecule-based magnets
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DOI：
10.1103/physrevlett.86.348
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发表时间：
2001-01-08
影响因子：
8.6
通讯作者：
Abe, S
中科院分区：
文献类型：
--
作者：
Kawamoto, T;Asai, Y;Abe, S
基于量子化学团簇从头计算，提出了Co-Fe普鲁士蓝类似物光致磁相变的一种新的双向结构变化的微观机制.结果表明，Co的各种自旋态的局域势能对最近邻Fe空位数敏感.因此，前向和后向结构变化最容易由不同光子对不同局部区域的激发引发。这种机制提出了在由两个局部成分组成的一般系统中实现光致可逆相变的有效策略。
A novel microscopic mechanism of bidirectional structural changes Is proposed for the photoinduced magnetic phase transition in Co-Fe Prussian blue analogs 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.