Electronic Properties of Sr₄V₂O₆Fe₂As₂ Superconductor by Mean of DFT Investigations
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- Mai Thi Ly
- Institute of Low Temperature and Structure Research, Polish Academy of Sciences
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- Tran Vinh Hung
- Institute of Low Temperature and Structure Research, Polish Academy of Sciences
書誌事項
- タイトル別名
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- Electronic Properties of Sr<sub>4</sub>V<sub>2</sub>O<sub>6</sub>Fe<sub>2</sub>As<sub>2</sub> Superconductor by Mean of DFT Investigations
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<p>Based on the Full potential linearized augmented plane wave (FLAPW) method, the electronic properties of incommensurate anti-ferromagnetic Sr4V2O6Fe2As2 with wave vector q = (0, 0, 0.306) have been investigated. Comparing total energy between those of non-magnetic and incommensurate anti-ferromagnetic states (i-AF) we suggest that the i-AF is the stable configuration in this superconductor. The density of states data exhibit strong spin-polarized effect on the V site and possible hybridization between V-3d and Fe-3d orbitals. We found as many as six bands crossing the Fermi level, indicating strong inter-band scattering. The analysis of Fermi surfaces reveals a multi-sheet character, which is compiled of several hole-type cylinders around the center and electron-type sheets at the corners of the Brillouin zone.</p>
収録刊行物
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- MATERIALS TRANSACTIONS
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MATERIALS TRANSACTIONS 61 (8), 1445-1448, 2020-07-01
公益社団法人 日本金属学会
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詳細情報 詳細情報について
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- CRID
- 1390285300177803264
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- NII論文ID
- 130007879851
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- NII書誌ID
- AA1151294X
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- ISSN
- 13475320
- 13459678
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- NDL書誌ID
- 030540943
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- 本文言語コード
- en
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- データソース種別
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- JaLC
- NDL
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