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- W2087278814 abstract "Transition-metal dichalcogenides (TMD) share the same global layered structure, but distinct polymorphs are characterized by different local coordinations of the transition-metal atoms. Here we compared the $1T$ and $2H$ families of metallic TMD, both in the bulk and in the two-dimensional forms. By means of first-principles time-dependent density functional calculations of the loss function, we established the direct connection between the low-energy plasmon properties and the crystal-structure symmetry. The different atomic environments affect the $densuremath{-}d$ electron-hole excitations, which are prominent at low energies, resulting in distinct in-plane plasmon dispersions in the two families. Conversely, the different periodicity of the plasmon reappearance along the $c$ axis perpendicular to the layers can be used to distinguish the various crystal structures of TMD." @default.
- W2087278814 created "2016-06-24" @default.
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- W2087278814 date "2014-11-19" @default.
- W2087278814 modified "2023-10-14" @default.
- W2087278814 title "Interplay between structure and electronic properties of layered transition-metal dichalcogenides: Comparing the loss function of<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mn>1</mml:mn><mml:mi>T</mml:mi></mml:mrow></mml:math>and<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML><mml:mrow><mml:mn>2</mml:mn><mml:mi>H</mml:mi></mml:mrow></mml:math>polymorphs" @default.
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- W2087278814 doi "https://doi.org/10.1103/physrevb.90.205128" @default.
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