Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles
Autor(a) principal: | |
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Data de Publicação: | 2020 |
Outros Autores: | , , , , , , , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Repositório Institucional da UFRN |
Texto Completo: | https://repositorio.ufrn.br/handle/123456789/38007 |
Resumo: | In the present investigation, we report the structural, vibrational, electronic and magnetic properties of Mn0.5Zn0.5Cr2O4 nanoparticles fabricated by the solution combustion method and complemented by Density Functional theory (DFT) calculations. X-ray diffraction (XRD), Neutron diffraction, X-ray photoelectron spec- troscopy and Raman analysis confirms the formation of single-phase with spinel cubic structure. The average crystallite size was found to be 8 nm. The theoretical calculations suggest that Zn-doping on the MnCr2O4 matrix induces a unit cell contraction associated with structural distortions along both [AO4] (A = Mn, Zn) and [CrO6] clusters, in agreement with the experimental evidence. These structural distortions contribute to narrowing the band-gap of Mn0.5Zn0.5Cr2O4 from disturbed energy levels in the vicinity of Fermi level. Field dependent magnetization confirms that the samples exhibit paramagnetic nature at 300 K and antiferromagnetic nature at 3 K. In the theoretical context, the exchange coupling constant for pure and Zn2+ substituted MnCr2O4 materials were calculated confirming the dominant antiferromagnetic character of Cr-Cr interactions. The temperature dependent susceptibility reveals that the magnetic transition from paramagnetic phase to antiferromagnetic phase occurs at 19 K (TN). The spin frustration factor of Mn0.5Zn0.5Cr2O4 is found to be 22 K. Hence, our experimental and theoretical result suggests that synthesized materials are useful for low and high frequency applications |
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Manjunatha, K.Angadi, V. JagadeeshaRibeiro, Renan Augusto PontesSilva, Elson Longo daOliveira, Marisa Carvalho deDelmonte, Maurício Roberto BomioLázaro, Sérgio Ricardo deMatteppanavar, ShidalingRayaprol, SudhindraBabu, Peram DelliPasha, Mahaboob2021-09-24T13:19:32Z2021-09-24T13:19:32Z2020-05-15MANJUNATHA, K.; ANGADI, V. Jagadeesha; RIBEIRO, Renan A.P.; LONGO, Elson; OLIVEIRA, Marisa C.; BOMIO, Mauricio R.D.; LÁZARO, Sergio R. de; MATTEPPANAVAR, Shidaling; RAYAPROL, S.; BABU, P.D.; PASHA, Mahaboob. Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles. Journal of Magnetism and Magnetic Materials, [S.L.], v. 502, p. 166595, maio 2020. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0304885319337928?via%3Dihub. Acesso em: 20 abr. 2021. http://dx.doi.org/10.1016/j.jmmm.2020.166595.0304-8853https://repositorio.ufrn.br/handle/123456789/3800710.1016/j.jmmm.2020.166595ElsevierNeutron diffractionSolution combustion methodRaman spectraAntiferromagneticDFT calculationsStructural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticlesinfo:eu-repo/semantics/publishedVersioninfo:eu-repo/semantics/articleIn the present investigation, we report the structural, vibrational, electronic and magnetic properties of Mn0.5Zn0.5Cr2O4 nanoparticles fabricated by the solution combustion method and complemented by Density Functional theory (DFT) calculations. X-ray diffraction (XRD), Neutron diffraction, X-ray photoelectron spec- troscopy and Raman analysis confirms the formation of single-phase with spinel cubic structure. The average crystallite size was found to be 8 nm. The theoretical calculations suggest that Zn-doping on the MnCr2O4 matrix induces a unit cell contraction associated with structural distortions along both [AO4] (A = Mn, Zn) and [CrO6] clusters, in agreement with the experimental evidence. These structural distortions contribute to narrowing the band-gap of Mn0.5Zn0.5Cr2O4 from disturbed energy levels in the vicinity of Fermi level. Field dependent magnetization confirms that the samples exhibit paramagnetic nature at 300 K and antiferromagnetic nature at 3 K. In the theoretical context, the exchange coupling constant for pure and Zn2+ substituted MnCr2O4 materials were calculated confirming the dominant antiferromagnetic character of Cr-Cr interactions. The temperature dependent susceptibility reveals that the magnetic transition from paramagnetic phase to antiferromagnetic phase occurs at 19 K (TN). The spin frustration factor of Mn0.5Zn0.5Cr2O4 is found to be 22 K. Hence, our experimental and theoretical result suggests that synthesized materials are useful for low and high frequency applicationsengreponame:Repositório Institucional da UFRNinstname:Universidade Federal do Rio Grande do Norte (UFRN)instacron:UFRNinfo:eu-repo/semantics/openAccessCC-LICENSElicense_rdflicense_rdfapplication/rdf+xml; charset=utf-8914https://repositorio.ufrn.br/bitstream/123456789/38007/2/license_rdf4d2950bda3d176f570a9f8b328dfbbefMD52LICENSElicense.txtlicense.txttext/plain; charset=utf-81484https://repositorio.ufrn.br/bitstream/123456789/38007/3/license.txte9597aa2854d128fd968be5edc8a28d9MD53123456789/380072023-02-13 17:31:13.661oai:https://repositorio.ufrn.br:123456789/38007Tk9OLUVYQ0xVU0lWRSBESVNUUklCVVRJT04gTElDRU5TRQoKCkJ5IHNpZ25pbmcgYW5kIGRlbGl2ZXJpbmcgdGhpcyBsaWNlbnNlLCBNci4gKGF1dGhvciBvciBjb3B5cmlnaHQgaG9sZGVyKToKCgphKSBHcmFudHMgdGhlIFVuaXZlcnNpZGFkZSBGZWRlcmFsIFJpbyBHcmFuZGUgZG8gTm9ydGUgdGhlIG5vbi1leGNsdXNpdmUgcmlnaHQgb2YKcmVwcm9kdWNlLCBjb252ZXJ0IChhcyBkZWZpbmVkIGJlbG93KSwgY29tbXVuaWNhdGUgYW5kIC8gb3IKZGlzdHJpYnV0ZSB0aGUgZGVsaXZlcmVkIGRvY3VtZW50IChpbmNsdWRpbmcgYWJzdHJhY3QgLyBhYnN0cmFjdCkgaW4KZGlnaXRhbCBvciBwcmludGVkIGZvcm1hdCBhbmQgaW4gYW55IG1lZGl1bS4KCmIpIERlY2xhcmVzIHRoYXQgdGhlIGRvY3VtZW50IHN1Ym1pdHRlZCBpcyBpdHMgb3JpZ2luYWwgd29yaywgYW5kIHRoYXQKeW91IGhhdmUgdGhlIHJpZ2h0IHRvIGdyYW50IHRoZSByaWdodHMgY29udGFpbmVkIGluIHRoaXMgbGljZW5zZS4gRGVjbGFyZXMKdGhhdCB0aGUgZGVsaXZlcnkgb2YgdGhlIGRvY3VtZW50IGRvZXMgbm90IGluZnJpbmdlLCBhcyBmYXIgYXMgaXQgaXMKdGhlIHJpZ2h0cyBvZiBhbnkgb3RoZXIgcGVyc29uIG9yIGVudGl0eS4KCmMpIElmIHRoZSBkb2N1bWVudCBkZWxpdmVyZWQgY29udGFpbnMgbWF0ZXJpYWwgd2hpY2ggZG9lcyBub3QKcmlnaHRzLCBkZWNsYXJlcyB0aGF0IGl0IGhhcyBvYnRhaW5lZCBhdXRob3JpemF0aW9uIGZyb20gdGhlIGhvbGRlciBvZiB0aGUKY29weXJpZ2h0IHRvIGdyYW50IHRoZSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkbyBSaW8gR3JhbmRlIGRvIE5vcnRlIHRoZSByaWdodHMgcmVxdWlyZWQgYnkgdGhpcyBsaWNlbnNlLCBhbmQgdGhhdCB0aGlzIG1hdGVyaWFsIHdob3NlIHJpZ2h0cyBhcmUgb2YKdGhpcmQgcGFydGllcyBpcyBjbGVhcmx5IGlkZW50aWZpZWQgYW5kIHJlY29nbml6ZWQgaW4gdGhlIHRleHQgb3IKY29udGVudCBvZiB0aGUgZG9jdW1lbnQgZGVsaXZlcmVkLgoKSWYgdGhlIGRvY3VtZW50IHN1Ym1pdHRlZCBpcyBiYXNlZCBvbiBmdW5kZWQgb3Igc3VwcG9ydGVkIHdvcmsKYnkgYW5vdGhlciBpbnN0aXR1dGlvbiBvdGhlciB0aGFuIHRoZSBVbml2ZXJzaWRhZGUgRmVkZXJhbCBkbyBSaW8gR3JhbmRlIGRvIE5vcnRlLCBkZWNsYXJlcyB0aGF0IGl0IGhhcyBmdWxmaWxsZWQgYW55IG9ibGlnYXRpb25zIHJlcXVpcmVkIGJ5IHRoZSByZXNwZWN0aXZlIGFncmVlbWVudCBvciBhZ3JlZW1lbnQuCgpUaGUgVW5pdmVyc2lkYWRlIEZlZGVyYWwgZG8gUmlvIEdyYW5kZSBkbyBOb3J0ZSB3aWxsIGNsZWFybHkgaWRlbnRpZnkgaXRzIG5hbWUgKHMpIGFzIHRoZSBhdXRob3IgKHMpIG9yIGhvbGRlciAocykgb2YgdGhlIGRvY3VtZW50J3MgcmlnaHRzCmRlbGl2ZXJlZCwgYW5kIHdpbGwgbm90IG1ha2UgYW55IGNoYW5nZXMsIG90aGVyIHRoYW4gdGhvc2UgcGVybWl0dGVkIGJ5CnRoaXMgbGljZW5zZQo=Repositório de PublicaçõesPUBhttp://repositorio.ufrn.br/oai/opendoar:2023-02-13T20:31:13Repositório Institucional da UFRN - Universidade Federal do Rio Grande do Norte (UFRN)false |
dc.title.pt_BR.fl_str_mv |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
title |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
spellingShingle |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles Manjunatha, K. Neutron diffraction Solution combustion method Raman spectra Antiferromagnetic DFT calculations |
title_short |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
title_full |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
title_fullStr |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
title_full_unstemmed |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
title_sort |
Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles |
author |
Manjunatha, K. |
author_facet |
Manjunatha, K. Angadi, V. Jagadeesha Ribeiro, Renan Augusto Pontes Silva, Elson Longo da Oliveira, Marisa Carvalho de Delmonte, Maurício Roberto Bomio Lázaro, Sérgio Ricardo de Matteppanavar, Shidaling Rayaprol, Sudhindra Babu, Peram Delli Pasha, Mahaboob |
author_role |
author |
author2 |
Angadi, V. Jagadeesha Ribeiro, Renan Augusto Pontes Silva, Elson Longo da Oliveira, Marisa Carvalho de Delmonte, Maurício Roberto Bomio Lázaro, Sérgio Ricardo de Matteppanavar, Shidaling Rayaprol, Sudhindra Babu, Peram Delli Pasha, Mahaboob |
author2_role |
author author author author author author author author author author |
dc.contributor.author.fl_str_mv |
Manjunatha, K. Angadi, V. Jagadeesha Ribeiro, Renan Augusto Pontes Silva, Elson Longo da Oliveira, Marisa Carvalho de Delmonte, Maurício Roberto Bomio Lázaro, Sérgio Ricardo de Matteppanavar, Shidaling Rayaprol, Sudhindra Babu, Peram Delli Pasha, Mahaboob |
dc.subject.por.fl_str_mv |
Neutron diffraction Solution combustion method Raman spectra Antiferromagnetic DFT calculations |
topic |
Neutron diffraction Solution combustion method Raman spectra Antiferromagnetic DFT calculations |
description |
In the present investigation, we report the structural, vibrational, electronic and magnetic properties of Mn0.5Zn0.5Cr2O4 nanoparticles fabricated by the solution combustion method and complemented by Density Functional theory (DFT) calculations. X-ray diffraction (XRD), Neutron diffraction, X-ray photoelectron spec- troscopy and Raman analysis confirms the formation of single-phase with spinel cubic structure. The average crystallite size was found to be 8 nm. The theoretical calculations suggest that Zn-doping on the MnCr2O4 matrix induces a unit cell contraction associated with structural distortions along both [AO4] (A = Mn, Zn) and [CrO6] clusters, in agreement with the experimental evidence. These structural distortions contribute to narrowing the band-gap of Mn0.5Zn0.5Cr2O4 from disturbed energy levels in the vicinity of Fermi level. Field dependent magnetization confirms that the samples exhibit paramagnetic nature at 300 K and antiferromagnetic nature at 3 K. In the theoretical context, the exchange coupling constant for pure and Zn2+ substituted MnCr2O4 materials were calculated confirming the dominant antiferromagnetic character of Cr-Cr interactions. The temperature dependent susceptibility reveals that the magnetic transition from paramagnetic phase to antiferromagnetic phase occurs at 19 K (TN). The spin frustration factor of Mn0.5Zn0.5Cr2O4 is found to be 22 K. Hence, our experimental and theoretical result suggests that synthesized materials are useful for low and high frequency applications |
publishDate |
2020 |
dc.date.issued.fl_str_mv |
2020-05-15 |
dc.date.accessioned.fl_str_mv |
2021-09-24T13:19:32Z |
dc.date.available.fl_str_mv |
2021-09-24T13:19:32Z |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
format |
article |
status_str |
publishedVersion |
dc.identifier.citation.fl_str_mv |
MANJUNATHA, K.; ANGADI, V. Jagadeesha; RIBEIRO, Renan A.P.; LONGO, Elson; OLIVEIRA, Marisa C.; BOMIO, Mauricio R.D.; LÁZARO, Sergio R. de; MATTEPPANAVAR, Shidaling; RAYAPROL, S.; BABU, P.D.; PASHA, Mahaboob. Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles. Journal of Magnetism and Magnetic Materials, [S.L.], v. 502, p. 166595, maio 2020. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0304885319337928?via%3Dihub. Acesso em: 20 abr. 2021. http://dx.doi.org/10.1016/j.jmmm.2020.166595. |
dc.identifier.uri.fl_str_mv |
https://repositorio.ufrn.br/handle/123456789/38007 |
dc.identifier.issn.none.fl_str_mv |
0304-8853 |
dc.identifier.doi.none.fl_str_mv |
10.1016/j.jmmm.2020.166595 |
identifier_str_mv |
MANJUNATHA, K.; ANGADI, V. Jagadeesha; RIBEIRO, Renan A.P.; LONGO, Elson; OLIVEIRA, Marisa C.; BOMIO, Mauricio R.D.; LÁZARO, Sergio R. de; MATTEPPANAVAR, Shidaling; RAYAPROL, S.; BABU, P.D.; PASHA, Mahaboob. Structural, electronic, vibrational and magnetic properties of Zn2+ substituted MnCr2O4 nanoparticles. Journal of Magnetism and Magnetic Materials, [S.L.], v. 502, p. 166595, maio 2020. Disponível em: https://www.sciencedirect.com/science/article/abs/pii/S0304885319337928?via%3Dihub. Acesso em: 20 abr. 2021. http://dx.doi.org/10.1016/j.jmmm.2020.166595. 0304-8853 10.1016/j.jmmm.2020.166595 |
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https://repositorio.ufrn.br/handle/123456789/38007 |
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Elsevier |
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Elsevier |
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