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>

نویسندگان

چکیده

We investigate the effect of spatial doping Mott insulator ${\mathrm{LaVO}}_{3}$ by inserting a few layers correlated metal ${\mathrm{SrVO}}_{3}$ in multilayer geometries. Using DFT combination with DMFT, we demonstrate that this leads to geometrically confined and robust metallic layer stabilizes metallicity even ultrathin limit, suppressing potential dimensionality-induced metal-insulator transition. For thicker layer, find continuous transition both structural electronic properties across interface between two materials, bulk reestablished on length scale $2\phantom{\rule{0.16em}{0ex}}\phantom{\rule{0.16em}{0ex}}\mathrm{to}\phantom{\rule{0.16em}{0ex}}\phantom{\rule{0.16em}{0ex}}3$ unit cells away from interface. show strain modulation applied along growth direction can lead asymmetric charge reconstruction at chemically symmetric interfaces. However, is rather weak, implying fractional occupancy, thus metallicity, persists

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ژورنال

عنوان ژورنال: Physical Review Materials

سال: 2023

ISSN: ['2476-0455', '2475-9953']

DOI: https://doi.org/10.1103/physrevmaterials.7.055003