First-principles exploration of superconductivity in MXenes.

Nanoscale

Department of Physics & NANOlab Center of Excellence, University of Antwerp, Groenenborgerlaan 171, B-2020 Antwerp, Belgium.

Published: August 2020

AI Article Synopsis

  • MXenes are a new type of two-dimensional material made of a thin layer of carbon or nitrogen between two transition metal layers.
  • Researchers searched for superconductivity in various MXenes using advanced computational methods and found six superconducting MXenes, including three carbides and three nitrides.
  • The highest superconducting critical temperature of around 16 K was found in Mo2N, which has a successful synthesis method, and W2N shows interesting behavior with competing phases of superconductivity and charge density waves.

Article Abstract

MXenes are an emerging class of two-dimensional materials, which in their thinnest limit consist of a monolayer of carbon or nitrogen (X) sandwiched between two transition metal (M) layers. We have systematically searched for superconductivity among MXenes for a range of transition metal elements, based on a full first-principles characterization in combination with the Eliashberg formalism. Thus, we identified six superconducting MXenes: three carbides (Mo2C, W2C and Sc2C) and three nitrides (Mo2N, W2N and Ta2N). The highest critical temperature of ∼16 K is found in Mo2N, for which a successful synthesis method has been established [Urbankowski et al., Nanoscale, 2017, 9, 17722-17730]. Moreover, W2N presents a novel case of competing superconducting and charge density wave phases.

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http://dx.doi.org/10.1039/d0nr03875jDOI Listing

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