Hybrid Quantum-Classical Monte-Carlo Study of a Molecule-Based Magnet

Abstract

Using a Monte Carlo (MC) method, we study an effective model for the Fe(II)Fe(III) bimetallic oxalates. Within a hybrid quantum-classical MC algorithm, the Heisenberg S=2 and $S^{\prime }=5/2$ spins on the Fe(II) and Fe(III) sites are updated using a quantum MC loop while the Ising-like orbital angular momenta on the Fe(II) sites are updated using a single-spin classical MC flip. The effective field acting on the orbital angular momenta depends on the quantum state of the system. We find that the mean-field phase diagram for the model is surprisingly robust with respect to fluctuations. In particular, the region displaying two compensation points shifts and shrinks but remains finite.

8 pages, 7 figures

References in corpus (6)

• Quantum Monte Carlo with Directed Loops
• Stochastic series expansion method with operator-loop update
• Stochastic series expansion method for quantum Ising models with arbitrary interactions
• Quantum Monte Carlo simulation of thin magnetic films
• Magnetic phases of the mixed-spin $J_1-J_2$ Heisenberg model on a square lattice
• Jahn-Teller Distortion in Bimetallic Oxalates

Cited by in corpus (2)

• Classification of Hybrid Quantum-Classical Computing
• Limit-Cycles and Chaos in the Current Through a Quantum Dot