Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study
Abstract
Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, we report the results were found to be sensitive to the particular choice of interatomic potential.
- Authors:
-
- Univ. of Georgia, Athens, GA (United States); Mississippi State Univ., Mississippi State, MS (United States)
- Stetson Univ., DeLand, FL (Uniteid States)
- Univ. of Georgia, Athens, GA (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Defect Physics in Structural Materials (CDP)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1369734
- Alternate Identifier(s):
- OSTI ID: 1329096
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Physical Review E
- Additional Journal Information:
- Journal Volume: 94; Journal Issue: 4; Related Information: CDP partners with Oak Ridge National Laboratory (lead); Ames Laboratory; University of California, Berkeley; Carnegie Mellon University; University of Georgia; University of Illinois, Urbana-Champaign; Ohio State University; University of Tennessee; Journal ID: ISSN 2470-0045
- Publisher:
- American Physical Society (APS)
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS
Citation Formats
Perera, Dilina, Vogel, Thomas, and Landau, David P. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study. United States: N. p., 2016.
Web. doi:10.1103/PhysRevE.94.043308.
Perera, Dilina, Vogel, Thomas, & Landau, David P. Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study. United States. https://doi.org/10.1103/PhysRevE.94.043308
Perera, Dilina, Vogel, Thomas, and Landau, David P. Mon .
"Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study". United States. https://doi.org/10.1103/PhysRevE.94.043308. https://www.osti.gov/servlets/purl/1369734.
@article{osti_1369734,
title = {Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study},
author = {Perera, Dilina and Vogel, Thomas and Landau, David P.},
abstractNote = {Coupled, dynamical spin-lattice models provide a unique test ground for simulations investigating the finite-temperature magnetic properties of materials under the direct influence of the lattice vibrations. These models are constructed by combining a coordinate-dependent interatomic potential with a Heisenberg-like spin Hamiltonian, facilitating the treatment of both the atomic coordinates and the spins as explicit phase variables. Using a model parameterized for bcc iron, we study the magnetic phase transition in these complex systems via the recently introduced, massively parallel replica-exchange Wang-Landau Monte Carlo method. Comparison with the results obtained from rigid lattice (spin-only) simulations shows that the transition temperature as well as the amplitude of the peak in the specific heat curve is marginally affected by the lattice vibrations. Moreover, we report the results were found to be sensitive to the particular choice of interatomic potential.},
doi = {10.1103/PhysRevE.94.043308},
journal = {Physical Review E},
number = 4,
volume = 94,
place = {United States},
year = {Mon Oct 17 00:00:00 EDT 2016},
month = {Mon Oct 17 00:00:00 EDT 2016}
}
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Works referencing / citing this record:
Collective dynamics in atomistic models with coupled translational and spin degrees of freedom
text, January 2017
- Perera, Dilina; Nicholson, Don M.; Eisenbach, Markus
- arXiv