Calculating the exchange interaction parameters between spins in MnF2 compound by Green’s function method

Wen-Rui Sun, Xu Qiu and Ai-Yuan Hu

Physica A: Statistical Mechanics and its Applications, 2025, vol. 664, issue C

Abstract: We investigate the magnetic properties of the compound MnF 2 by means of the double-time Green′s function method. Using the Tyablikov decoupling approximation, we derive analytical expressions for the system′s phase transition temperature TN, the magnetic susceptibility at the phase transition point χ(TN) under zero field, and the Curie–Weiss temperature θ. In principle, any two of them can be used to determine the nearest-neighbor J1 and next-nearest-neighbor J2 in terms of the experimentally measured TN, χ(TN) and θ. All three possible combinations are tested: using TN and χ(TN) are named as scenario I, χ(TN) and θ named as scenario II, and TN and θ named as scenario III. Fitting experimental data shows that the results of scenario I are in good agreement with the experiment, indicating that it is reasonable to use TN and χ(TN) to determine the values of J1 and J2. At the same time, the rationality of these three physical quantities in determining the values of J1 and J2 is demonstrated, and the conclusion is that: when selecting the physical quantity to determine the value of the exchange interaction parameter, the effect of χ(TN) is better than other physical quantities.

Keywords: Antiferromagnetic; General theory and models of magnetic ordering; Green’s function method; Exchange and superexchange interactions; Heisenberg model (search for similar items in EconPapers)
Date: 2025
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:664:y:2025:i:c:s0378437125001153

DOI: 10.1016/j.physa.2025.130463

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