A theoretical study of laser-induced ultrafast spin dynamics in trigonal monopyramidal iron and nickel complexes

Abstract

We present a first-principles study of the geometries, electronic structures, and laser-induced ultrafast spin dynamics in the four trigonal monopyramidal complexes [tpa$^{\text{t-Bu}}$Fe]$^-$, [tcma$^{\text{t-Bu}}$Fe]$^-$, [tpa$^{\text{t-Bu}}$Ni]$^-$, and [tcma$^{\text{t-Bu}}$Ni]$^-$ [tpa: tris-(pyrrolylmethyl)amine; tcma: tris(carbamoyl-methyl)amine;...

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