Electronic control of spin alignment in pi-conjugated molecular magnets.
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 provide a theoretical basis for understanding the mechanism of spin alignment recently observed in a diradical donor molecule.
Huai
Ping
P
Nanotechnology Research Institute (NRI) and Research Consortium for Synthetic Nano-Function Materials Project (SYNAF), National Institute of Advanced Industrial Science and Technology (AIST), 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan.
Shimoi
Yukihiro
Y
Abe
Shuji
S