Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters

Details Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters

2005-11-24

arxiv.org/abs/cond-mat/0511594v1

Physics

Condensed Matter

Strongly Correlated Electrons

8 pages including 7 figures

Scientific paper

10.1103/PhysRevB.73.104438

Conventional superexchange rules predict ferromagnetic exchange interaction between Ni(II) and M (M=Mo(V), W(V), Nb(IV)). Recent experiments show that in some systems this superexchange is antiferromagnetic. To understand this feature, in this paper we develop a microscopic model for Ni(II)-M systems and solve it exactly using a valence bond approach. We identify the direct exchange coupling, the splitting of the magnetic orbitals and the inter-orbital electron repulsions, on the M site as the parameters which control the ground state spin of various clusters of the Ni(II)-M system. We present quantum phase diagrams which delineate the high-spin and low-spin ground states in the parameter space. We fit the spin gap to a spin Hamiltonian and extract the effective exchange constant within the experimentally observed range, for reasonable parameter values. We also find a region in the parameter space where an intermediate spin state is the ground state. These results indicate that the spin spectrum of the microscopic model cannot be reproduced by a simple Heisenberg exchange Hamiltonian.

Affiliated with

Also associated with

No associations

Rating

Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters 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 Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Microscopic Model for High-spin vs. Low-spin ground state in $[Ni_2{M(CN)_8]}$ ($M=Mo^V, W^V, Nb^{IV}$) magnetic clusters will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-424871