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• W4375945744 abstract "We investigate the effect of spatial doping of the Mott insulator ${mathrm{LaVO}}_{3}$ by inserting a few layers of the correlated metal ${mathrm{SrVO}}_{3}$ in multilayer geometries. Using DFT in combination with DMFT, we demonstrate that this leads to a geometrically confined and robust metallic layer that stabilizes the metallicity in ${mathrm{SrVO}}_{3}$ even in the ultrathin layer limit, suppressing a potential dimensionality-induced metal-insulator transition. For a thicker ${mathrm{SrVO}}_{3}$ layer, we find a continuous transition of both structural and electronic properties across the interface between the two materials, with bulk properties reestablished on a length scale of $2phantom{rule{0.16em}{0ex}}phantom{rule{0.16em}{0ex}}mathrm{to}phantom{rule{0.16em}{0ex}}phantom{rule{0.16em}{0ex}}3$ unit cells away from the interface. We show that a strain modulation applied along the growth direction can lead to asymmetric charge reconstruction at chemically symmetric interfaces. However, we find that this effect is rather weak, implying that fractional occupancy, and thus metallicity, persists at the interfaces." @default.
• W4375945744 created "2023-05-10" @default.
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• W4375945744 date "2023-05-09" @default.
• W4375945744 modified "2023-09-24" @default.
• W4375945744 title "Interfacial doping in <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>LaVO</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mi>SrVO</mml:mi><mml:mn>3</mml:mn></mml:msub></mml:mrow></mml:math> multilayers from <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mtext>DFT</mml:mtext><mml:mo>+</mml:mo><mml:mtext>DMFT</mml:mtext></mml:math>" @default.
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• W4375945744 doi "https://doi.org/10.1103/physrevmaterials.7.055003" @default.
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