4.6 Article

Charge doping to flat AgF2 monolayers in a chemical capacitor setup

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 24, Issue 26, Pages 15705-15717

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d2cp00179a

Keywords

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Funding

  1. Polish National Science Center (NCN) [2017/26/A/ST5/00570]
  2. Interdisciplinary Centre for Mathematical and Computational Modelling (ICM), University of Warsaw [GA76-19, GA83-34, G85-892]
  3. Italian MIUR [PRIN 2017Z8TS5B]
  4. Regione Lazio through project SIMAP [L. R. 13/08]
  5. Marie Sklodowska-Curie individual fellowship [893943]
  6. National Natural Science Foundation of China [11725415, 11934001]
  7. Ministry of Science and Technology of China [2018YFA0305601, 2016YFA0301004]
  8. Strategic Priority Research Program of the Chinese Academy of Sciences [XDB28000000]
  9. Marie Curie Actions (MSCA) [893943] Funding Source: Marie Curie Actions (MSCA)

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Recent predictions suggest that flat monolayers of silver (II) fluoride exhibit strong antiferro-magnetic superexchange and have potential for ambient pressure superconductivity if optimally doped. The optimal doping level was found to be 14% holes per formula unit, and a chemical capacitor setup can be used to achieve controlled doping of flat [AgF2] single layers.
Flat monolayers of silver(ii) fluoride, which could be obtained by epitaxial deposition on an appropriate substrate, have been recently predicted to exhibit very strong antiferro-magnetic superexchange and to have large potential for ambient pressure superconductivity if doped to an optimal level. It was shown that AgF2 could become a magnetic glue-based superconductor with a critical superconducting temperature approaching 200 K at optimum doping. In the current work we calculate the optimum doping to correspond to 14% of holes per formula unit, i.e. quite similar to that for oxocuprates(ii). Furthermore, using DFT calculations we show that flat [AgF2] single layers can indeed be doped to a controlled extent using a recently proposed chemical capacitor setup. Hole doping associated with the formation of Ag(iii) proves to be difficult to achieve in the setup explored in this work as it falls at the verge of charge stability of fluoride anions and does not affect the d(x(2) - y(2)) manifold. However, in the case of electron doping, manipulation of different factors - such as the number of dopant layers and the thickness of the separator - permits fine tuning of the doping level (and concomitantly T-C) all the way from the underdoped to overdoped regime (in a similar manner to chemical doping for the Nd2CuO4 analogue).

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