Magnetization and magnetic anisotropy of metallophthalocyanine molecules from the first principles calculations

Wang, Junhua; Shi, Yisheng; Cao, Juexian; Wu, Ruqian
March 2009
Applied Physics Letters;3/23/2009, Vol. 94 Issue 12, p122502
Academic Journal
Using the full potential linearized augmented plane wave method, we explored the magnetic anisotropy energies of metallophthalocyanine molecules with Mn, Fe, Co, and Ni. Their spin magnetic moments can be expressed as 8-nμB (n=5,6,7,8 for Mn, Fe, Co, and Ni). Interestingly, Mn-phthalocyanine has a large orbital magnetic moment of 0.19μB and a sizable magnetic anisotropy energy of 2.72 meV useable for applications.


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