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The Effect of K and P Doping on the Structure and Electronic Structure of SrFe2As2

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Abstract

K- and P-doped SrFe2As2 belong to hole doping and isovalent doping, respectively, and their effects on the band, Fermi surface, and partial density of states of Fe 3d and As 4p orbitals are also significantly different. However, these two types of doping consistently follow the rule that reducing the Fe ions height can quickly suppress antiferromagnetic order. Compared with the As-Fe-As angle, Fe-As bond length, and Fe-Fe distance, the decrease in Fe ions height more directly and quickly suppresses antiferromagnetic order, and the total density of states in the range of – 1.5 eV to ~ 1.5 eV exhibits similar properties in K and P doping in the process of 25% K- and 12.5% P-doped SrFe2As2.

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Data and Code Availability

We believe that all datasets underlying the conclusions of the paper should be available to readers. We try to present all the data we can into the manuscript. The minimal dataset to interpret, replicate and build upon the findings reported in the article, supporting the findings of this study, are available from the corresponding author upon reasonable request.

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Acknowledgements

This work was sponsored by Hebei Province Higher Education Science and Technology Research Project under Grant No. ZC2023016, Campus Scientific Research Project of Tangshan Normal University under Grant No. 2023B22.

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Authors and Affiliations

  1. School of Mathematics and Computational Sciences, Tangshan Normal University, Tangshan, 063000, China

    Li Li, Weifang Wang, Qinghui Liu, Liyu Chen, Hongli Wang & Dongfang Jia

  2. School of Materials Science and Engineering, Dalian Jiaotong University, Dalian, 116028, China

    Zhihua Zhang, Hualong Tao & Yan Cui

  3. School of Physics and Materials Engineering, Dalian Minzu University, Dalian, 116600, China

    Ming He

  4. School of Material Science and Engineering, Henan Polytechnic University, Jiaozuo, 454000, China

    Long Lin

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  1. Li Li
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Contributions

We declare that all the co-authors have contributed to this paper, or provided help for this study, so that this paper can be completed smoothly. Now simply list their contributions: Li Li: Conceptualization, Methodology, Software , Writing- Original draft preparation. Zhihua Zhang: Supervision, Writing- Reviewing and Editing. Ming He: Software Validation. Long Lin: Supervision. Hualong Tao: Validation. Yan Cui: Validation. Weifang Wang: Software Validation. Qinghui Liu: Software Validation. Liyu Chen: Supervision. Hongli Wang: Validation. Dongfang Jia: Validation, Visualization.

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Correspondence to Li Li or Zhihua Zhang.

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Li, L., Zhang, Z., He, M. et al. The Effect of K and P Doping on the Structure and Electronic Structure of SrFe2As2. JOM (2024). https://doi.org/10.1007/s11837-024-06591-6

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