Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles
The serial system Srn+1FenO2n+1(n=1,2,3…) with the FeO4 square planar motif exhibits abundant phase transitions under pressure. In this work, we investigate the pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles. Our results show that the system undergoe...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
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AIP Publishing LLC
2017-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.4973285 |
| _version_ | 1828896690312052736 |
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| author | Ting Jia Zhi Zeng H. Q. Lin |
| author_facet | Ting Jia Zhi Zeng H. Q. Lin |
| author_sort | Ting Jia |
| collection | DOAJ |
| description | The serial system Srn+1FenO2n+1(n=1,2,3…) with the FeO4 square planar motif exhibits abundant phase transitions under pressure. In this work, we investigate the pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles. Our results show that the system undergoes a structural transition from Immm to Ammm when the volume decreases by 30%, together with a spin-state transition (SST) from high-spin (S = 2) to intermediate-spin (S = 1), an antiferromagnetic-to-ferromagnetic transition and an insulator-to-metal transition (IMT). Besides, the IMT here is a bandwidth controlled transition, but little influenced by the SST. |
| first_indexed | 2024-12-13T14:45:12Z |
| format | Article |
| id | doaj.art-0045665baffe4ece959b7e4f41d5096b |
| institution | Directory Open Access Journal |
| issn | 2158-3226 |
| language | English |
| last_indexed | 2024-12-13T14:45:12Z |
| publishDate | 2017-05-01 |
| publisher | AIP Publishing LLC |
| record_format | Article |
| series | AIP Advances |
| spelling | doaj.art-0045665baffe4ece959b7e4f41d5096b2022-12-21T23:41:29ZengAIP Publishing LLCAIP Advances2158-32262017-05-0175055703055703-610.1063/1.4973285032791ADVPressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principlesTing Jia0Zhi Zeng1H. Q. Lin2Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, People’s Republic of ChinaKey Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, People’s Republic of ChinaBeijing Computational Science Research Center, Beijing 100084, ChinaThe serial system Srn+1FenO2n+1(n=1,2,3…) with the FeO4 square planar motif exhibits abundant phase transitions under pressure. In this work, we investigate the pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles. Our results show that the system undergoes a structural transition from Immm to Ammm when the volume decreases by 30%, together with a spin-state transition (SST) from high-spin (S = 2) to intermediate-spin (S = 1), an antiferromagnetic-to-ferromagnetic transition and an insulator-to-metal transition (IMT). Besides, the IMT here is a bandwidth controlled transition, but little influenced by the SST.http://dx.doi.org/10.1063/1.4973285 |
| spellingShingle | Ting Jia Zhi Zeng H. Q. Lin Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles AIP Advances |
| title | Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles |
| title_full | Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles |
| title_fullStr | Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles |
| title_full_unstemmed | Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles |
| title_short | Pressure-induced structural, magnetic and transport transitions in Sr2FeO3 from first-principles |
| title_sort | pressure induced structural magnetic and transport transitions in sr2feo3 from first principles |
| url | http://dx.doi.org/10.1063/1.4973285 |
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