Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl
There are various new structures with superior performance for Heusler alloy materials that are widely used in spintronic materials, thermoelectric materials, and other fields. In this study, three new Ag-based full-Heusler alloys (Ag2TiGa, Ag2VGa, and Ag2TiTl) are proposed. The stability, mechanica...
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| Format: | Article |
| Language: | English |
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KeAi Communications Co., Ltd.
2022-07-01
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| Series: | ChemPhysMater |
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| Online Access: | http://www.sciencedirect.com/science/article/pii/S2772571522000146 |
| _version_ | 1798005071909224448 |
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| author | Qun Wei Rui Zhang Meiguang Zhang Yun Zhang Linghang Cao Junqin Zhang |
| author_facet | Qun Wei Rui Zhang Meiguang Zhang Yun Zhang Linghang Cao Junqin Zhang |
| author_sort | Qun Wei |
| collection | DOAJ |
| description | There are various new structures with superior performance for Heusler alloy materials that are widely used in spintronic materials, thermoelectric materials, and other fields. In this study, three new Ag-based full-Heusler alloys (Ag2TiGa, Ag2VGa, and Ag2TiTl) are proposed. The stability, mechanical properties, and electronic properties of these three new Ag-based Heusler alloys were studied using first-principles calculations. The results showed that the compression resistance, shear resistance, stiffness, and elastic anisotropy of Ag2VGa were greater than those of Ag2TiGa and Ag2TiTl, whereas the ductility of Ag2TiGa and Ag2TiTl was better than that of Ag2VGa. The spin density of states of Ag2VGa has evident spin splitting near the Fermi level, and the total magnetic moment of the Ag2VGa structure is 2.28 µB, which indicates that Ag2VGa is magnetic. These studies enrich research on Ag-based Heusler alloys and provide theoretical references for subsequent theoretical and experimental research. |
| first_indexed | 2024-04-11T12:33:31Z |
| format | Article |
| id | doaj.art-81149dd6190242799fcc39840f9d98aa |
| institution | Directory Open Access Journal |
| issn | 2772-5715 |
| language | English |
| last_indexed | 2024-04-11T12:33:31Z |
| publishDate | 2022-07-01 |
| publisher | KeAi Communications Co., Ltd. |
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| series | ChemPhysMater |
| spelling | doaj.art-81149dd6190242799fcc39840f9d98aa2022-12-22T04:23:41ZengKeAi Communications Co., Ltd.ChemPhysMater2772-57152022-07-0113211218Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTlQun Wei0Rui Zhang1Meiguang Zhang2Yun Zhang3Linghang Cao4Junqin Zhang5School of Physics, Xidian University, Xi'an 710071, China; Corresponding authors.School of Physics, Xidian University, Xi'an 710071, ChinaCollege of Physics and Optoelectronic Technology, Baoji University of Arts and Sciences, Baoji 721016, China; Corresponding authors.College of Physics and Optoelectronic Technology, Baoji University of Arts and Sciences, Baoji 721016, ChinaSchool of Physics, Xidian University, Xi'an 710071, ChinaSchool of Microelectronics, Xidian University, Xi'an 710071, ChinaThere are various new structures with superior performance for Heusler alloy materials that are widely used in spintronic materials, thermoelectric materials, and other fields. In this study, three new Ag-based full-Heusler alloys (Ag2TiGa, Ag2VGa, and Ag2TiTl) are proposed. The stability, mechanical properties, and electronic properties of these three new Ag-based Heusler alloys were studied using first-principles calculations. The results showed that the compression resistance, shear resistance, stiffness, and elastic anisotropy of Ag2VGa were greater than those of Ag2TiGa and Ag2TiTl, whereas the ductility of Ag2TiGa and Ag2TiTl was better than that of Ag2VGa. The spin density of states of Ag2VGa has evident spin splitting near the Fermi level, and the total magnetic moment of the Ag2VGa structure is 2.28 µB, which indicates that Ag2VGa is magnetic. These studies enrich research on Ag-based Heusler alloys and provide theoretical references for subsequent theoretical and experimental research.http://www.sciencedirect.com/science/article/pii/S2772571522000146Heusler alloysFrist-principles calculationsMechanical propertiesMagnetic properties |
| spellingShingle | Qun Wei Rui Zhang Meiguang Zhang Yun Zhang Linghang Cao Junqin Zhang Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl ChemPhysMater Heusler alloys Frist-principles calculations Mechanical properties Magnetic properties |
| title | Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl |
| title_full | Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl |
| title_fullStr | Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl |
| title_full_unstemmed | Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl |
| title_short | Three new Ag-based full-Heusler alloys: Ag2TiGa, Ag2VGa, and Ag2TiTl |
| title_sort | three new ag based full heusler alloys ag2tiga ag2vga and ag2titl |
| topic | Heusler alloys Frist-principles calculations Mechanical properties Magnetic properties |
| url | http://www.sciencedirect.com/science/article/pii/S2772571522000146 |
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