1. Realistic magnetic thermodynamics by local quantization of a semiclassical Heisenberg model
- Author
-
Flynn Walsh, Mark Asta, and Lin-Wang Wang
- Subjects
Materials of engineering and construction. Mechanics of materials ,TA401-492 ,Computer software ,QA76.75-76.765 - Abstract
Abstract Classical Monte Carlo simulation of the Heisenberg model poorly describes many thermodynamic phenomena due to its neglect of the quantum nature of spins. Alternatively, we discuss how to semiclassically approach the quantum problem and demonstrate a simple method for introducing a locally approximate form of spin quantization. While the procedure underestimates magnetic short-range order, our results suggest a simple correction for recovering realistic spin–spin correlations above the critical temperature. Moreover, ensemble fluctuations are found to provide reasonably accurate thermodynamics, largely reproducing quantum mechanically calculated heat capacities and experimental magnetometry for ferromagnetic Fe and antiferromagnetic RbMnF3. Extensions of the method are proposed to address remaining inaccuracies.
- Published
- 2022
- Full Text
- View/download PDF