Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13)
La(FexSi1−x)13 and derived quaternary compounds are well-known for their giant, tunable, magneto- and barocaloric responses around a first-order paramagnetic-ferromagnetic transition near room temperature with low hysteresis. Remarkably, such a transition shows a large spontaneous volume change toge...
| Asıl Yazarlar: | , , , , |
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| Materyal Türü: | Journal article |
| Dil: | English |
| Baskı/Yayın Bilgisi: |
IOP Publishing
2023
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| _version_ | 1826310815801671680 |
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| author | Mendive Tapia, E Patrick, CE Hickel, T Neugebauer, J Staunton, JB |
| author_facet | Mendive Tapia, E Patrick, CE Hickel, T Neugebauer, J Staunton, JB |
| author_sort | Mendive Tapia, E |
| collection | OXFORD |
| description | La(FexSi1−x)13 and derived quaternary compounds are well-known for their giant, tunable,
magneto- and barocaloric responses around a first-order paramagnetic-ferromagnetic transition
near room temperature with low hysteresis. Remarkably, such a transition shows a large
spontaneous volume change together with itinerant electron metamagnetic features. While
magnetovolume effects are well-established mechanisms driving first-order transitions, purely
electronic sources have a long, subtle history and remain poorly understood. Here we apply a
disordered local moment picture to quantify electronic and magnetoelastic effects at finite
temperature in La(FexSi1−x)13 from first-principles. We obtain results in very good agreement with
experiment and demonstrate that the magnetoelastic coupling, rather than purely electronic
mechanisms, drives the first-order character and causes at the same time a huge electronic entropy
contribution to the caloric response. |
| first_indexed | 2024-03-07T07:57:36Z |
| format | Journal article |
| id | oxford-uuid:7b2b2392-c49f-4e56-991f-5aa5a047fd20 |
| institution | University of Oxford |
| language | English |
| last_indexed | 2024-03-07T07:57:36Z |
| publishDate | 2023 |
| publisher | IOP Publishing |
| record_format | dspace |
| spelling | oxford-uuid:7b2b2392-c49f-4e56-991f-5aa5a047fd202023-09-04T18:28:40ZQuantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13)Journal articlehttp://purl.org/coar/resource_type/c_dcae04bcuuid:7b2b2392-c49f-4e56-991f-5aa5a047fd20EnglishSymplectic ElementsIOP Publishing2023Mendive Tapia, EPatrick, CEHickel, TNeugebauer, JStaunton, JBLa(FexSi1−x)13 and derived quaternary compounds are well-known for their giant, tunable, magneto- and barocaloric responses around a first-order paramagnetic-ferromagnetic transition near room temperature with low hysteresis. Remarkably, such a transition shows a large spontaneous volume change together with itinerant electron metamagnetic features. While magnetovolume effects are well-established mechanisms driving first-order transitions, purely electronic sources have a long, subtle history and remain poorly understood. Here we apply a disordered local moment picture to quantify electronic and magnetoelastic effects at finite temperature in La(FexSi1−x)13 from first-principles. We obtain results in very good agreement with experiment and demonstrate that the magnetoelastic coupling, rather than purely electronic mechanisms, drives the first-order character and causes at the same time a huge electronic entropy contribution to the caloric response. |
| spellingShingle | Mendive Tapia, E Patrick, CE Hickel, T Neugebauer, J Staunton, JB Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title | Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title_full | Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title_fullStr | Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title_full_unstemmed | Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title_short | Quantification of electronic and magnetoelastic mechanisms of first-order magnetic phase transitions from first principles: application to caloric effects in La(FexSi1-x)(13) |
| title_sort | quantification of electronic and magnetoelastic mechanisms of first order magnetic phase transitions from first principles application to caloric effects in la fexsi1 x 13 |
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