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...
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Autores principales: | , , , , , , , |
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Formato: | Articulo |
Lenguaje: | Inglés |
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2019
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Acceso en línea: | http://sedici.unlp.edu.ar/handle/10915/107278 http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC6354655&blobtype=pdf |
Aporte de: |
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I19-R120-10915-107278 |
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institution |
Universidad Nacional de La Plata |
institution_str |
I-19 |
repository_str |
R-120 |
collection |
SEDICI (UNLP) |
language |
Inglés |
topic |
Física Condensed matter physics |
spellingShingle |
Física Condensed matter physics Melo Quintero, Jhon Jaither Salcedo Rodríguez, Karen Lizeth Gómez Albarracín, Flavia Alejandra Rosales, Héctor Diego Mendoza Zélis, Pedro Stewart, Silvana Jacqueline Errico, Leonardo Antonio Rodríguez Torres, Claudia Elena On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
topic_facet |
Física Condensed matter physics |
description |
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 |
format |
Articulo Articulo |
author |
Melo Quintero, Jhon Jaither Salcedo Rodríguez, Karen Lizeth Gómez Albarracín, Flavia Alejandra Rosales, Héctor Diego Mendoza Zélis, Pedro Stewart, Silvana Jacqueline Errico, Leonardo Antonio Rodríguez Torres, Claudia Elena |
author_facet |
Melo Quintero, Jhon Jaither Salcedo Rodríguez, Karen Lizeth Gómez Albarracín, Flavia Alejandra Rosales, Héctor Diego Mendoza Zélis, Pedro Stewart, Silvana Jacqueline Errico, Leonardo Antonio Rodríguez Torres, Claudia Elena |
author_sort |
Melo Quintero, Jhon Jaither |
title |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
title_short |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
title_full |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
title_fullStr |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
title_full_unstemmed |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
title_sort |
on the deviation from a curie-weiss behavior of the znfe2o4 susceptibility: a combined ab-initio and monte-carlo approach |
publishDate |
2019 |
url |
http://sedici.unlp.edu.ar/handle/10915/107278 http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC6354655&blobtype=pdf |
work_keys_str_mv |
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bdutipo_str |
Repositorios |
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1764820443860041733 |