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Electronic Control of Spin Alignment in pi-Conjugated Molecular Magnets

Ping Huai·Yukihiro Shimoi·Shuji Abe
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Abstract

Intramolecular spin alignment in pi-conjugated molecules is studied theoretically in a model of a Peierls-Hubbard chain coupled with two localized spins. By means of the exact diagonalization technique, we demonstrate that a spin singlet (S=0) to quartet (S=3/2) transition can be induced by electronic doping, depending on the chain length, the positions of the localized spins, and the sign of the electron-spin coupling. The calculated results provides a theoretical basis for understanding the mechanism of spin alignment recently observed in a diradical donor molecule.

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Ping Huai, Yukihiro Shimoi, Shuji Abe. 2003-04-21. Electronic Control of Spin Alignment in pi-Conjugated Molecular Magnets. https://doi.org/10.1103/physrevlett.90.207203

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