Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4
Defects profoundly affect the magnetic, electronic structure and topological behaviour of intrinsic magnetic topological insulators. Here, we investigate the magnetic, structural stability and topological properties of different Te atomic sites in the intrinsic magnetic topological insulator FeBi _2...
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| Format: | Article |
| Language: | English |
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IOP Publishing
2023-01-01
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| Series: | New Journal of Physics |
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| Online Access: | https://doi.org/10.1088/1367-2630/acf1c2 |
| _version_ | 1797693089821753344 |
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| author | Wen-Ti Guo Zhigao Huang Jian-Min Zhang |
| author_facet | Wen-Ti Guo Zhigao Huang Jian-Min Zhang |
| author_sort | Wen-Ti Guo |
| collection | DOAJ |
| description | Defects profoundly affect the magnetic, electronic structure and topological behaviour of intrinsic magnetic topological insulators. Here, we investigate the magnetic, structural stability and topological properties of different Te atomic sites in the intrinsic magnetic topological insulator FeBi _2 Te _4 with Se substitution of the FM- z magnetic order. When Se replaces the outermost site of the septuple layer (the Te atomic layer connected by van der Waals bonds), the Se–Bi bond length formed with its nearest neighbour Bi is drastically shortened and the lattice constant and volume contract accordingly. We speculate that this defect-induced chemical bond enhancement is related to the strong electronegativity of Se over Te. In contrast, the system has lower formation energy, a more stable structure, and enhanced magnetic moment when Se replaces the Te atomic layer inside the septuple layer. Also, we reveal a variety of topological phase transitions due to substitution defects. FeBi _2 Te _4 is considered to belong to the $z_{2} \times z_{4}$ topological classification of higher-order topological insulators with z _4 = 2. The system after Se substitution can be transformed into Weyl semimetals, strong 3D topological insulators, and unknown topological materials without symmetry-base indicators, respectively. |
| first_indexed | 2024-03-12T02:37:31Z |
| format | Article |
| id | doaj.art-a6a4339e091347dda02823fef15faf9a |
| institution | Directory Open Access Journal |
| issn | 1367-2630 |
| language | English |
| last_indexed | 2024-03-12T02:37:31Z |
| publishDate | 2023-01-01 |
| publisher | IOP Publishing |
| record_format | Article |
| series | New Journal of Physics |
| spelling | doaj.art-a6a4339e091347dda02823fef15faf9a2023-09-04T12:14:32ZengIOP PublishingNew Journal of Physics1367-26302023-01-0125909300410.1088/1367-2630/acf1c2Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4Wen-Ti Guo0https://orcid.org/0000-0003-0016-8930Zhigao Huang1Jian-Min Zhang2https://orcid.org/0000-0002-0356-5387Fujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University , Fuzhou 350117, People’s Republic of China; Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering , Fuzhou 350117, People’s Republic of ChinaFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University , Fuzhou 350117, People’s Republic of China; Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering , Fuzhou 350117, People’s Republic of ChinaFujian Provincial Key Laboratory of Quantum Manipulation and New Energy Materials, College of Physics and Energy, Fujian Normal University , Fuzhou 350117, People’s Republic of China; Fujian Provincial Collaborative Innovation Center for Advanced High-Field Superconducting Materials and Engineering , Fuzhou 350117, People’s Republic of ChinaDefects profoundly affect the magnetic, electronic structure and topological behaviour of intrinsic magnetic topological insulators. Here, we investigate the magnetic, structural stability and topological properties of different Te atomic sites in the intrinsic magnetic topological insulator FeBi _2 Te _4 with Se substitution of the FM- z magnetic order. When Se replaces the outermost site of the septuple layer (the Te atomic layer connected by van der Waals bonds), the Se–Bi bond length formed with its nearest neighbour Bi is drastically shortened and the lattice constant and volume contract accordingly. We speculate that this defect-induced chemical bond enhancement is related to the strong electronegativity of Se over Te. In contrast, the system has lower formation energy, a more stable structure, and enhanced magnetic moment when Se replaces the Te atomic layer inside the septuple layer. Also, we reveal a variety of topological phase transitions due to substitution defects. FeBi _2 Te _4 is considered to belong to the $z_{2} \times z_{4}$ topological classification of higher-order topological insulators with z _4 = 2. The system after Se substitution can be transformed into Weyl semimetals, strong 3D topological insulators, and unknown topological materials without symmetry-base indicators, respectively.https://doi.org/10.1088/1367-2630/acf1c2FeBi2Te4magnetic topological insulatortopological phase transitionsubstitute defects |
| spellingShingle | Wen-Ti Guo Zhigao Huang Jian-Min Zhang Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 New Journal of Physics FeBi2Te4 magnetic topological insulator topological phase transition substitute defects |
| title | Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 |
| title_full | Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 |
| title_fullStr | Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 |
| title_full_unstemmed | Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 |
| title_short | Structural and topological phase transitions in Se doping-controlled intrinsic magnetic topological material FeBi2Te4 |
| title_sort | structural and topological phase transitions in se doping controlled intrinsic magnetic topological material febi2te4 |
| topic | FeBi2Te4 magnetic topological insulator topological phase transition substitute defects |
| url | https://doi.org/10.1088/1367-2630/acf1c2 |
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