The design of crystal structures aids the discovery of interesting physical phenomena in organic crystals. In this work, the optimization of the coronene-tetracyanoquinodimethane (TCNQ) structure generates non-degenerate energy levels of spin-up and spin-down electrons after charge transfer, producing spontaneous spin polarization, leading to pronounced ferromagnetism. The deformed crystal lattice can significantly affect the saturation magnetization of organic ferromagnets to present a remarkable magnetoelastic coupling. Furthermore, the magnetic-field-induced lattice shrinkage of the ferromagnetic crystals supports a spin-lattice-interaction-dependent magnetoelastic coupling. This concept of organic magnetoelastic coupling will pave the way for the rapid mechanical control of spin polarization in organic multiferroic magnetoelastic materials.
Keywords: organic ferromagnetism; organic magnetoelastic coupling; spin-lattice interaction.
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