Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment
Abstract Hysteresis is an inherent property of first-order transition materials that poses challenges for solid-state refrigeration applications. Extensive research has been conducted, but the intrinsic origins of hysteresis remain poorly understood. Here, we report a study of the kinetic origin of...
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Nature Portfolio
2024-10-01
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| Series: | NPG Asia Materials |
| Online Access: | https://doi.org/10.1038/s41427-024-00571-7 |
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| author | Zi-Bing Yu Hou-Bo Zhou Feng-Xia Hu Jian-Tao Wang Fei-Ran Shen Lun-Hua He Zheng-Ying Tian Yi-Hong Gao Bing-Jie Wang Yuan Lin Yue Kan Jing Wang Yun-Zhong Chen Ji-Rong Sun Tong-Yun Zhao Bao-Gen Shen |
| author_facet | Zi-Bing Yu Hou-Bo Zhou Feng-Xia Hu Jian-Tao Wang Fei-Ran Shen Lun-Hua He Zheng-Ying Tian Yi-Hong Gao Bing-Jie Wang Yuan Lin Yue Kan Jing Wang Yun-Zhong Chen Ji-Rong Sun Tong-Yun Zhao Bao-Gen Shen |
| author_sort | Zi-Bing Yu |
| collection | DOAJ |
| description | Abstract Hysteresis is an inherent property of first-order transition materials that poses challenges for solid-state refrigeration applications. Extensive research has been conducted, but the intrinsic origins of hysteresis remain poorly understood. Here, we report a study of the kinetic origin of hysteresis and the enhanced barocaloric effect (BCE) in MnCoGe-based alloys with ~2% nonmagnetic In atoms. First-principles calculations demonstrate that substituting In atoms at Ge sites rather than Co sites results in a lower energy barrier, indicating a narrower hysteresis for the former. Combining neutron powder diffraction (NPD) with magnetic and calorimetric measurements completely verified the theoretical prediction. Electron local function (ELF) calculations further reveal the atomic coordination origin of regulated hysteresis due to weaker Co–Ge bonds when In atoms replace Ge, which is opposite to Co sites. Moreover, we experimentally investigate the BCE and find that although MnCo(Ge0.98In0.02) has a lower barocaloric entropy change ΔSP than does Mn(Co0.98In0.02)Ge, the reversible ΔSrev of the former is advantageous owing to a smaller hysteresis. The maximum ΔSrev of MnCo(Ge0.98In0.02) is 1.7 times greater than that of Mn(Co0.98In0.02)Ge. These results reveal the atomic-scale mechanism regulating hysteresis and provide insights into tailoring the functional properties of novel caloric refrigeration materials. |
| format | Article |
| id | doaj-art-cde7848b0d304416a0df16de89c571d0 |
| institution | Kabale University |
| issn | 1884-4057 |
| language | English |
| publishDate | 2024-10-01 |
| publisher | Nature Portfolio |
| record_format | Article |
| series | NPG Asia Materials |
| spelling | doaj-art-cde7848b0d304416a0df16de89c571d02025-01-19T12:28:38ZengNature PortfolioNPG Asia Materials1884-40572024-10-0116111410.1038/s41427-024-00571-7Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environmentZi-Bing Yu0Hou-Bo Zhou1Feng-Xia Hu2Jian-Tao Wang3Fei-Ran Shen4Lun-Hua He5Zheng-Ying Tian6Yi-Hong Gao7Bing-Jie Wang8Yuan Lin9Yue Kan10Jing Wang11Yun-Zhong Chen12Ji-Rong Sun13Tong-Yun Zhao14Bao-Gen Shen15Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesSpallation Neutron Source Science CenterBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesBeijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of SciencesAbstract Hysteresis is an inherent property of first-order transition materials that poses challenges for solid-state refrigeration applications. Extensive research has been conducted, but the intrinsic origins of hysteresis remain poorly understood. Here, we report a study of the kinetic origin of hysteresis and the enhanced barocaloric effect (BCE) in MnCoGe-based alloys with ~2% nonmagnetic In atoms. First-principles calculations demonstrate that substituting In atoms at Ge sites rather than Co sites results in a lower energy barrier, indicating a narrower hysteresis for the former. Combining neutron powder diffraction (NPD) with magnetic and calorimetric measurements completely verified the theoretical prediction. Electron local function (ELF) calculations further reveal the atomic coordination origin of regulated hysteresis due to weaker Co–Ge bonds when In atoms replace Ge, which is opposite to Co sites. Moreover, we experimentally investigate the BCE and find that although MnCo(Ge0.98In0.02) has a lower barocaloric entropy change ΔSP than does Mn(Co0.98In0.02)Ge, the reversible ΔSrev of the former is advantageous owing to a smaller hysteresis. The maximum ΔSrev of MnCo(Ge0.98In0.02) is 1.7 times greater than that of Mn(Co0.98In0.02)Ge. These results reveal the atomic-scale mechanism regulating hysteresis and provide insights into tailoring the functional properties of novel caloric refrigeration materials.https://doi.org/10.1038/s41427-024-00571-7 |
| spellingShingle | Zi-Bing Yu Hou-Bo Zhou Feng-Xia Hu Jian-Tao Wang Fei-Ran Shen Lun-Hua He Zheng-Ying Tian Yi-Hong Gao Bing-Jie Wang Yuan Lin Yue Kan Jing Wang Yun-Zhong Chen Ji-Rong Sun Tong-Yun Zhao Bao-Gen Shen Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment NPG Asia Materials |
| title | Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| title_full | Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| title_fullStr | Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| title_full_unstemmed | Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| title_short | Kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| title_sort | kinetic origin of hysteresis and the strongly enhanced reversible barocaloric effect by regulating the atomic coordination environment |
| url | https://doi.org/10.1038/s41427-024-00571-7 |
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