Correction: The nature of the electronic ground state of M₂C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes

Abstract

Correction for ‘The nature of the electronic ground state of M₂C (M = Ti, V, Cr, Zr, Nb, Mo, Hf, Ta, and W) MXenes’ by Néstor García-Romeral et al., Phys. Chem. Chem. Phys., 2023, 25, 31153–31164, https://doi.org/10.1039/D3CP04402E.

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The present authors would like to update some data reported in Fig. 5. The vertical axis label should be ΔE_AFM–FM with VASP and FHI-AIMS, and there was a transcription error in some FHI-AIMS PBE values. In consequence, the corresponding values from Table S4 in the supplementary information should also be replaced. All results, discussions, and conclusions from the original article are unaffected by the present correction. The corrected Fig. 5 is presented below and the correct table has been modified in the supplementary information.

Fig. 1 Energy of AFM solutions relative to the FM one (ΔE_AFM–FM in meV) of p(1 × 1) unit cell of paramagnetic M₂C (M = Ti, Zr, Hf, and Cr) obtained from PBE, PBE0, and HSE06 functionals at the PBE optimized spin-polarized structures with (a) VASP and (b) FHI-AIMS codes. The negative sign indicates that the AFM solutions are more stable than the FM one. Data available in Table S4 from ESI.† Figure footnote: ^a The values of Ti₂C from ref. 45 have been also included to draw a clear and a wide picture of the influence of the metal atoms in these systems.

The Royal Society of Chemistry apologises for these errors and any consequent inconvenience to authors and readers.

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