Abstract
A two-dimensional sheet with long range ferromagnetic (FM) order has been hotly pursued currently. The recent success in synthesizing polymerized Fe-phthalocyanine (poly-FePc) porous sheets paves a possible way to achieve this goal. However, the poly-FePc and its analog poly-CrPc structure are intrinsically antiferromagnetic (AFM). Using first principles combined with Monte-Carlo simulations, we study systematically the carrier-induced magnetic coupling transitions in poly-CrPc and poly-FePc sheets. We show that electron doping can induce stable FM states with Curie temperatures of 130-140 K, while hole doping will enhance the stability of the AFM states. Such changes in magnetic couplings depend on the balance of AFM superexchange and FM p-d exchange.
| Original language | English |
|---|---|
| Pages (from-to) | 328-333 |
| Number of pages | 6 |
| Journal | Nanoscale |
| Volume | 6 |
| Issue number | 1 |
| DOIs | |
| State | Published - 7 Jan 2014 |
| Externally published | Yes |
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