| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Magnetic and electronic properties of La-doped hexagonal 4H-SrMnO3 |
| Jie Li(李杰)1, Yinan Chen(陈一楠)2, Nuo Gong(宫诺)2, Xin Huang(黄欣)2, Zhihong Yang(杨志红)2, and Yakui Weng(翁亚奎)2,† |
1 Grünberg Research Centre, Nanjing University of Posts and Telecommunications, Nanjing 210023, China;
2 School of Science, Nanjing University of Posts and Telecommunications, Nanjing 210023, China |
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Abstract As typical strongly correlated electronic materials, manganites show rich magnetic phase diagrams and electronic structures depending on the doped carrier density. Most previous relevant studies of doped manganites rely on the cubic/orthorhombic structures, while the hexagonal structure is much less studied. Here first-principles calculations are employed to investigate the magnetic and electronic structures of La-doped 4H-SrMnO3. By systematically analyzing the two kinds of La-doped positions, our calculations predict that the doped electron with lattice distortion would prefer to form polarons, which contribute to the local magnetic phase transition, nonzero net magnetization, and semiconducting behavior. In addition, the energy gap decreases gradually with increasing doping concentration, indicating a tendency of insulator—metal transition.
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Received: 19 June 2023
Revised: 28 August 2023
Accepted manuscript online: 14 September 2023
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PACS:
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75.47.Lx
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(Magnetic oxides)
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71.30.+h
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(Metal-insulator transitions and other electronic transitions)
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71.38.-k
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(Polarons and electron-phonon interactions)
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| Fund: This work was supported by the Natural Science Foundation of Nanjing University of Posts and Telecommunications (Grant Nos. NY222167 and NY220005). |
Corresponding Authors:
Yakui Weng
E-mail: wyk@njupt.edu.cn
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Cite this article:
Jie Li(李杰), Yinan Chen(陈一楠), Nuo Gong(宫诺), Xin Huang(黄欣), Zhihong Yang(杨志红), and Yakui Weng(翁亚奎) Magnetic and electronic properties of La-doped hexagonal 4H-SrMnO3 2024 Chin. Phys. B 33 017502
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