Two-Step Spin Crossover and Contact-Tunable Giant Magnetoresistance in Cyclopentadienyl Metalloporphyrin
Mingbo Yu,
Liping Zhou,
Wen-Long You
et al.
Abstract:In this article, we study the optimized structures, spin crossover, and coherent quantum transport properties of a series of cyclopentadienyl metalloporphyrin (PTMCp, TM = transition metal) complexes using the density functional theory combined with the non-equilibrium Green’s function method. The structure of the complexes can be classified into the sandwich type and the biplanar type. Energetic analyses of spin states reveal that the IS(intermediate-spin)-HS(high-spin) spin transition may appear in PMnCp and… Show more
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