Monte Carlo study of a Heisenberg antiferromagnet on an fcc lattice with and without dilution

Julio F. Fernández, Horacio A. Farach, Charles P. Poole, Jr., and Marcello Puma
Phys. Rev. B 27, 4274 – Published 1 April 1983
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Abstract

A Monte Carlo simulation is performed of a Heisenberg model with nearest-neighbor antiferromagnetic interaction. It is carried out on a fcc lattice of size n×n×n unit cells, where n=4,6, and 8 (4n3 spins), with a fraction (x) of the sites occupied by N spins. This model which is random for x<1, on a frustrated lattice, is related to nonconducting spinglasses, such as Cd1xMnxTe. For x=0.5 and 1, we calculated the following quantities: (i) the specific heat C, (ii) q(t)=N1ΣiSi(0)·Si(t), and (iii) the relaxation time (τ) associated with q(t). For x=1, a singularity in C versus the temperature seems to develop at T0.4JkB, which becomes sharper as N becomes larger, and τ seems to diverge as T0.4JkB also. Furthermore, additional results for systems of 8×8×n cells (256n spins) for n=2,4, and 8, show that the peak in C becomes rounded as n decreases. For x=0.5, C seems to be smooth in T and independent of N, and τT3 which indicates that there is no transition for T0. Thus this model seems to lack some essential ingredient to describe the paramagnetic to spin-glass transition seen experimentally in systems such as Cd1xMnxTe.

  • Received 11 May 1982

DOI:https://doi.org/10.1103/PhysRevB.27.4274

©1983 American Physical Society

Authors & Affiliations

Julio F. Fernández*

  • Instituto Venezolano de Investigaciones Científicas, Apartado 1827, Caracas 1010A, Venezuela

Horacio A. Farach and Charles P. Poole, Jr.

  • Department of Physics and Astronomy, University of South Carolina, Columbia, South Carolina 29208

Marcello Puma

  • Departamento de Física, Universidad Simón Bolivar, Caracas, Venezuela

  • *Present address (until May 1983): IBM T. J. Watson Research Laboratory, Yorktown Heights, NY 10598.

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Vol. 27, Iss. 7 — 1 April 1983

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