Surface effects on the Mott-Hubbard transition in archetypal V${}_2$O${}_3$

Abstract

We present an experimental and theoretical study exploring surface effects on the evolution of the metal-insulator transition in the model Mott-Hubbard compound Cr-doped V${}_2$O${}_3$. We find a microscopic domain formation that is clearly affected by the surface crystallographic orientation. Using scanning photoelectron microscopy and X-ray diffraction, we find that surface defects act as nucleation centers for the formation of domains at the temperature-induced isostructural transition and favor the formation of microscopic metallic regions. A density functional theory plus dynamical mean field theory study of different surface terminations shows that the surface reconstruction with excess vanadyl cations leads to doped, and hence more metallic surface states, explaining our experimental observations.

5 pages, 4 figures

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• Merging GW with DMFT and non-local correlations beyond
• Correlations turn electronic structure of finite-layer nickelates upside down
• Early-stage dynamics of metallic droplets embedded in the nanotextured Mott insulating phase of V${}_2$O${}_3$
• Domain size effects on the dynamics of a charge density wave in 1T-TaS2
• Metal-insulator transition and local-moment collapse in negative charge-transfer CaFeO${}_3$ under pressure
• Toward Functionalized Ultrathin Oxide Films: the Impact of Surface Apical Oxygen
• Closing of the Mott gap near step edges in NiS2