On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach
- Autores
- 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
- Año de publicación
- 2019
- Idioma
- inglés
- Tipo de recurso
- artículo
- Estado
- versión publicada
- Descripción
- 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
Instituto de Física La Plata
Instituto de Física de Líquidos y Sistemas Biológicos
Facultad de Ingeniería - Materia
-
Física
Condensed matter physics - Nivel de accesibilidad
- acceso abierto
- Condiciones de uso
- http://creativecommons.org/licenses/by-nc-nd/4.0/
- Repositorio
.jpg)
- Institución
- Universidad Nacional de La Plata
- OAI Identificador
- oai:sedici.unlp.edu.ar:10915/107278
Ver los metadatos del registro completo
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On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approachMelo Quintero, Jhon JaitherSalcedo Rodríguez, Karen LizethGómez Albarracín, Flavia AlejandraRosales, Héctor DiegoMendoza Zélis, PedroStewart, Silvana JacquelineErrico, Leonardo AntonioRodríguez Torres, Claudia ElenaFísicaCondensed matter physicsWe 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 degeneracyInstituto de Física La PlataInstituto de Física de Líquidos y Sistemas BiológicosFacultad de Ingeniería2019info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersionArticulohttp://purl.org/coar/resource_type/c_6501info:ar-repo/semantics/articuloapplication/pdfhttp://sedici.unlp.edu.ar/handle/10915/107278enginfo:eu-repo/semantics/altIdentifier/url/http://europepmc.org/backend/ptpmcrender.fcgi?accid=PMC6354655&blobtype=pdfinfo:eu-repo/semantics/altIdentifier/issn/2405-8440info:eu-repo/semantics/altIdentifier/pmid/30775570info:eu-repo/semantics/altIdentifier/doi/10.1016/j.heliyon.2019.e01170info:eu-repo/semantics/openAccesshttp://creativecommons.org/licenses/by-nc-nd/4.0/Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)reponame:SEDICI (UNLP)instname:Universidad Nacional de La Platainstacron:UNLP2025-09-03T10:56:06Zoai:sedici.unlp.edu.ar:10915/107278Institucionalhttp://sedici.unlp.edu.ar/Universidad públicaNo correspondehttp://sedici.unlp.edu.ar/oai/snrdalira@sedici.unlp.edu.arArgentinaNo correspondeNo correspondeNo correspondeopendoar:13292025-09-03 10:56:06.768SEDICI (UNLP) - Universidad Nacional de La Platafalse |
| dc.title.none.fl_str_mv |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
| title |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach |
| spellingShingle |
On the deviation from a Curie-Weiss behavior of the ZnFe2O4 susceptibility: a combined ab-initio and Monte-Carlo approach Melo Quintero, Jhon Jaither Física Condensed matter physics |
| 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 |
| dc.creator.none.fl_str_mv |
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 |
Melo Quintero, Jhon Jaither |
| 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_role |
author |
| author2 |
Salcedo Rodríguez, Karen Lizeth Gómez Albarracín, Flavia Alejandra Rosales, Héctor Diego Mendoza Zélis, Pedro Stewart, Silvana Jacqueline Errico, Leonardo Antonio Rodríguez Torres, Claudia Elena |
| author2_role |
author author author author author author author |
| dc.subject.none.fl_str_mv |
Física Condensed matter physics |
| topic |
Física Condensed matter physics |
| dc.description.none.fl_txt_mv |
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 Instituto de Física La Plata Instituto de Física de Líquidos y Sistemas Biológicos Facultad de Ingeniería |
| 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 |
| publishDate |
2019 |
| dc.date.none.fl_str_mv |
2019 |
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http://sedici.unlp.edu.ar/handle/10915/107278 |
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eng |
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eng |
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