Phase diagram of a mixed spin-1 and spin-3/2 Ising ferrimagnet

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Presentation transcript:

Phase diagram of a mixed spin-1 and spin-3/2 Ising ferrimagnet Milan Žukovič and Andrej Bobák P.J. Šafárik University in Košice

Outline Motivation Model Monte Carlo simulations » Parameters Results » Evaluated quantities » Finite-size scaling Results » Previous approximations » Current MC results Summary and conclusions

Motivation Synthesis of new molecular magnets with interesting technological applications Mixed spin-SA and spin-SB Ising systems - simple models of bimetallic molecule-based magnets Difficulties to apply nonperturbative approaches to models with higher spins and complex lattices Mixed SA=1 and SB=3/2 Ising model on square lattice » mean-field theory (MFT) » effective-field theory (EFT) » cluster variation theory (CVT) Qualitative disagreements!!!! Goal: help to resolve discrepancies by MC simulation

Model Hamiltonian where ● ● ● ● ● ● ● ● ● ● ● ● ● ● ● ●

Monte Carlo simulations Parameters » Monte Carlo technique: standard and histogram » Dynamics: Metropolis » Lattice sizes LxL with: L=20,…,200 » MC sweeps: 105 ~ 107 » Boundary conditions: periodic

Monte Carlo simulations Evaluated quantities Sublattice magnetizations: Total magnetization: Staggered magnetization:

Monte Carlo simulations Evaluated quantities Int. energy and specific heat per site: Direct and staggered susceptibilities: and

Monte Carlo simulations Finite-size scaling Scaling of maxima of the quantities where - correlation length critical exponent - susceptibility critical exponent

Results Phase diagram by previous approximative approaches (a) Effective field theory (EFT) (b) Cluster variation theory (CVT) A. Bobák, Physica A 258 (1998) 140. J.W. Tucker, J. Magn. Magn. Mater. 237 (2001) 215.

Phase diagram by current MC simulations Results Phase diagram by current MC simulations kBTc/|J|=0.1

Results Finite-size scaling at kBTc/|J|=0.1 2D Ising values Second-order behavior

Multicompensation behavior Results Multicompensation behavior

Critical and compensation behavior Results Critical and compensation behavior

Summary and conclusions Only order-disorder phase boundary in (kBTc/|T|,D/|J|) plane (MFT,EFT,CVT) Order-disorder transition temperature is a single-valued function of D/|J| (MFT,EFT,CVT) Order-disorder transition is of second-order for entire range of D/|J| (MFT,EFT,CVT) Multicompensation behavior with up to two compensation points around D/|J|≈-1.96 (MFT,EFT,CVT) Approximative approaches: caution drawing conclusions about phenomena in a narrow parameter space!