Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study

Perera, Dilina; Vogel, Thomas; Landau, David P.

doi:10.1103/PhysRevE.94.043308

Title: Magnetic phase transition in coupled spin-lattice systems: A replica-exchange Wang-Landau study

Journal Article · Mon Oct 17 00:00:00 EDT 2016 · Physical Review E

DOI:https://doi.org/10.1103/PhysRevE.94.043308· OSTI ID:1369734

Perera, Dilina ^[1]; Vogel, Thomas ^[2]; Landau, David P. ^[3]

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)

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.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Defect Physics in Structural Materials (CDP)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: AC05-00OR22725

OSTI ID:: 1369734

Alternate ID(s):: OSTI ID: 1329096

Journal Information:: Physical Review E, Vol. 94, 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; ISSN 2470-0045

Publisher:: American Physical Society (APS)Copyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 5 works

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