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Adsorption of Iron Phthalocyanine on a Au(111) Surface

  • PHYSICAL CHEMISTRY OF SURFACE PHENOMENA
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Abstract

In the present work, the adsorption configurations, electronic states and magnetism of Fe-Pc on Au(111) are investigated using first-principles calculations. We showed that the most favored configuration is the top site using the generalized gradient approximation method SGGA, whereas, it is the hcp position with the SGGA + U approach (in the presence of the Hubbard term U). An interesting and useful result obtained is that the magnetic moments do not change upon adsorption of the iron phthalocyanine molecule on the Au surface. The Fe-Pc/Au(111) system is an interesting and important system to realize the molecular electronic or spintronic devices. This study provides new original results and insightful discussions to update our understanding and stimulate our interests in this system as well as magnetic molecules at surfaces.

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REFERENCES

  1. M. Mabrouk and R. Hayn, Phys. Rev. B 92, 184424 (2015).

    Article  Google Scholar 

  2. M. Mabrouk, A. Savoyant, L. Giovanelli, S. Clair, R. Hayn, and R. Ben Chaabane, J. Phys. Chem. C 121, 4253 (2017).

    Article  CAS  Google Scholar 

  3. M. Mabrouk, R. Hayn, H. Denawi, and R. Ben Chaabane, J. Magn. Magn. Mater. 453, 48 (2018).

    Article  CAS  Google Scholar 

  4. M. Mabrouk, R. Hayn, and R. Ben Chaabane, J. Superlatt. Microstruct. 130, 122 (2019).

    Article  CAS  Google Scholar 

  5. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996).

    Article  CAS  Google Scholar 

  6. P. E. Blochl, Phys. Rev. B 50, 17953 (1994).

    Article  CAS  Google Scholar 

  7. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999).

    Article  CAS  Google Scholar 

  8. C. Isvoranu, B. Wang, E. Ataman, J. Knudsen, K. Schulte, J. N. Andersen, M.-L. Bocquet, and J. Schnadt, J. Phys. Chem. C 115, 24718 (2011).

    Article  CAS  Google Scholar 

  9. L. Gao, W. Ji, Y. B. Hu, Z. H. Cheng, Z. T. Deng, Q. Liu, N. Jiang, X. Lin, W. Guo, S. X. Du, W. A. Hofer, X. C. Xie, and H.-J. Gao, Phys. Rev. Lett. 99, 106402 (2007).

    Article  CAS  Google Scholar 

  10. C. Isvoranu, B. Wang, E. Ataman, K. Schulte, J. Knudsen, J. N. Andersen, M.-L. Bocquet, and J. Schnadt, J. Phys. Chem. C 115, 20201 (2011).

    Article  CAS  Google Scholar 

  11. B.-Q. Song, L.-D. Pan, S.-X. Du, and H.-J. Gao, Chin. Phys. B 22, 096801 (2013).

    Article  Google Scholar 

  12. Y. Y. Zhang, S. X. Du, and H.-J. Gao, Phys. Rev. B 84, 125446 (2011).

    Article  Google Scholar 

  13. J.-T. Sun, L.-D. Pan, H. Hu, S.-X. Du, and H.-J. Gao, Chin. Phys. B 19, 097809 (2010).

    Article  Google Scholar 

  14. E. Minamitani, N. Tsukahara, D. Matsunaka, Y. Kim, N. Takagi, and M. Kawai, Phys. Rev. Lett. 109, 086602 (2012).

    Article  Google Scholar 

  15. A. Zhao, Q. Li, L. Chen, H. Xiang, W. Wang, S. Pan, B. Wang, X. Xiao, J. Yang, J. G. Hou, and Q. Zhu, Science (Washington, DC, U. S.) 309, 1542 (2005).

    Article  CAS  Google Scholar 

  16. Z. Li, B. Li, J. Yang, and J. G. Hou, Acc. Chem. Res. 43, 954 (2010).

    Article  CAS  Google Scholar 

  17. Z. Hu, B. Li, A. Zhao, J. Yang, and J. G. Hou, J. Phys. Chem. C 112, 13650 (2008).

    Article  CAS  Google Scholar 

  18. J. D. Baran, J. A. Larsson, R. A. J. Woolley, Yan Cong, P. J. Moriarty, A. A. Cafolla, K. Schulte, and V. R. Dhanak, Phys. Rev. B 81, 075413 (2010).

    Article  Google Scholar 

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ACKNOWLEDGMENTS

The authors gratefully acknowledge the support from the Centre Informatique National de l’Enseignement Supérieur (CINES), project no. c2016096873.

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Authors and Affiliations

  1. Aix-Marseille Université, CNRS, IM2NP-UMR 7334, 13397, Marseille Cedex 20, France

    Manel Mabrouk & Roland Hayn

  2. Université de Monastir, Faculté des Sciences, Laboratoire des Interfaces et Matériaux Avancés, Avenue de l’Environnement, 5019, Monastir, Tunisia

    Manel Mabrouk & Rafik Ben Chaabane

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  1. Manel Mabrouk
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  2. Roland Hayn
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  3. Rafik Ben Chaabane
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Correspondence to Manel Mabrouk.

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Manel Mabrouk, Hayn, R. & Ben Chaabane, R. Adsorption of Iron Phthalocyanine on a Au(111) Surface. Russ. J. Phys. Chem. 94, 1704–1707 (2020). https://doi.org/10.1134/S0036024420080191

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  • DOI: https://doi.org/10.1134/S0036024420080191

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