On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach
We present a numerical study of the magnetic properties of ZnFe2O4 using MonteCarlo simulations performed considering a Heisenberg model with antiferromagnetic couplings determined by Density Functional Theory. Our calculations predict that the magnetic susceptibility has a cusp-like peak centered a...
| Autores: | , , , , , , , |
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| Tipo de recurso: | artículo |
| Estado: | Versión publicada |
| Fecha de publicación: | 2019 |
| País: | Argentina |
| Institución: | Universidad Nacional de La Plata |
| Repositorio: | SEDICI (UNLP) |
| Idioma: | inglés |
| OAI Identifier: | oai:sedici.unlp.edu.ar:10915/107278 |
| Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/107278 |
| Access Level: | acceso abierto |
| Palabra clave: | Física Condensed matter physics |
| Sumario: | We present a numerical study of the magnetic properties of ZnFe2O4 using MonteCarlo simulations performed considering a Heisenberg model with antiferromagnetic couplings determined by Density Functional Theory. Our calculations predict that the magnetic susceptibility has a cusp-like peak centered at 13 K, and follows a Curie–Weiss behavior above this temperature with a high and negative Curie–Weiss temperature (Θ = −170 K). These results agree with the experimental data once extrinsic contributions that give rise to the deviation from a Curie–Weiss law are discounted. Additionally, we discuss the spin configuration of ZnFe2O4 below its ordering temperature, where the system presents a high degeneracy |
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