Computer simulation study of hysteresis and free energy in the fcc Ising antiferromagnet

Journal Article · Sat Sep 01 04:00:00 EDT 1984 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.30.2866· OSTI ID:6483488

Meirovitch, H

A method for estimating the entropy S from a Monte Carlo simulation, suggested previously by the author, is applied to the fcc Ising antiferromagnet with nearest-neighbor interactions and external magnetic field h. The estimated accuracy for S is 0.01% to 0.5%, which is, at least, 1 order of magnitude higher than has been obtained with thermodynamic integration by Binder. Comparison of the free-energy results for the coexisting ordered and disordered phases enables us to determine with high accuracy the first-order transition points and the discontinuities in the thermodynamic functions. For the residual ground-state entropies per spin S(0)/k/sub B/ at the critical fields h/sub c//J = 12 and 4, we obtain 0.249 89(2) ( = 0.360 51(3)ln2) and 0.239(1) ( = 0.345(1)ln2), respectively. The first result is significantly larger than the theoretical upper bound, sigma/sub u//sup prime/ = 0.2398 ( = 0.3460 ln2), conjectured by Hadjukovic and Milosevic. Our results are also significantly larger than Binder's result, approx.(1/3) ln2, obtained for both critical fields.

• Research Organization: Department of Polymer Research, The Weizmann Institute of Science, Rehovot 76100, Israel
• OSTI ID: 6483488
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 30:5; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360104* -- Metals & Alloys-- Physical Properties
ANTIFERROMAGNETIC MATERIALS
COMPUTERIZED SIMULATION
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
ENERGY
ENTROPY
FCC LATTICES
FREE ENERGY
HYSTERESIS
MAGNETIC MATERIALS
MATERIALS
PHASE TRANSFORMATIONS
PHYSICAL PROPERTIES
SIMULATION
THERMODYNAMIC PROPERTIES
TRANSITION TEMPERATURE