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• W2605867365 abstract "Compounds having excess electrons from the formal valence viewpoint (electrides) are a new class of materials, which often take low-dimensional structures. We studied the (001) surface electronic structures of quasi-two-dimensional electrides ${mathrm{Ca}}_{2}mathrm{N}$ and ${mathrm{Y}}_{2}mathrm{C}$ by density functional theory using a slab model. Both materials were found to have a clean surface state well separated in energy from the bulk states. Furthermore, this state virtually floats above the surface and may be considered to be a hallmark of two-dimensional electrides. For ${mathrm{Ca}}_{2}mathrm{N}$, a tight-binding model in the Wannier representation was derived and analyzed, from which we concluded that the surface state, described by extra-surface $s$-like orbitals, is a Tamm state originating from an abrupt increase in potential energy at the surface." @default.
• W2605867365 created "2017-04-28" @default.
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• W2605867365 date "2017-04-19" @default.
• W2605867365 modified "2023-09-25" @default.
• W2605867365 title "Surface electron states on the quasi-two-dimensional excess-electron compounds<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi>Ca</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant=normal>N</mml:mi></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:msub><mml:mi mathvariant=normal>Y</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:mi mathvariant=normal>C</mml:mi></mml:mrow></mml:math>" @default.
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• W2605867365 doi "https://doi.org/10.1103/physrevb.95.165430" @default.
• W2605867365 hasPublicationYear "2017" @default.
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