title: Carrier induced magnetic coupling transitions in phthalocyanine-based organometallic sheet.
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.
authors.affiliation: Department of Materials Science and Engineering, Peking University, Beijing 100871, China. sunqiang@pku.edu.cn.
authors.forename: Jian
authors.initials: J
authors.lastname: Zhou
authors.forename: Qiang
authors.initials: Q
authors.lastname: Sun