Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc

Details Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc

2007-12-19

arxiv.org/abs/0712.3262v2

Physics

Condensed Matter

Materials Science

13 pages,10 figures. To appear in Physical Review B

Scientific paper

10.1103/PhysRevB.77.184403

We study exchange couplings in the organic magnets copper(II) phthalocyanine (Cu(II)Pc) and manganese(II) phthalocyanine (Mn(II)Pc) by a combination of Green's function perturbation theory and \textsl{ab initio} density-functional theory (DFT). Based on the indirect exchange model our perturbation-theory calculation of Cu(II)Pc qualitatively agrees with the experimental observations. DFT calculations performed on Cu(II)Pc dimer show a very good quantitative agreement with exchange couplings that we extract by using a global fitting for the magnetization measurements to a spin-1/2 Bonner-Fisher model. These two methods give us remarkably consistent trends for the exchange couplings in Cu(II)Pc when changing the stacking angles. The situation is more complex for Mn(II)Pc owing to the competition between super-exchange and indirect exchange.

Affiliated with

Also associated with

No associations

Rating

Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Structure-dependent exchange in the organic magnets Cu(II)Pc and Mn(II)Pc will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-147346