Abstract
A graphene-like compound–two-dimensional d metal system is studied with consideration for interaction between the layer components. The Green’s functions of the layers are derived in the diagonal approximation. The case of weak coupling between the layers is studied comprehensively. In this case, analytical expressions for corrections to the occupation numbers, transferred charge, and Schottky-barrier height are derived. It is shown that the corrections are most substantial, if the junction involves metals from the beginning and end of d series.
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Notes
In Friedel’s model, the DoS for the entire d band is given by the expression 10\(W_{d}^{{ - 1}}\). For the DoS of the s band, we can write a similar expression with the replacement of ten by two, Wd by Ws, and εm by \(\varepsilon _{m}^{'}\). Since Ws ≫ Wd, the contribution of the s band can be disregarded. It should be noted that the low-energy approximation of the spectra of the 2DM and GLC brings about the disappearance of van Hove singularities. However, further we are interested in integrated rather than differential characteristics, which makes such simplification appropriate.
The assumption is that, in deriving expressions (17)–(19), we put εm = 0. Such simplification is acceptable, since the spread of the work functions required to determine the energies εm is rather wide [17]. Here, as well as in [6], we assume the work functions ϕm for the 3DM and 2DM to be equal by recognizing that, in the tight binding method (not to be confused with the strong GLC–2DM coupling mode), the position of the band middle εm is independent of the dimensionality of the structure (in contrast to the band width).
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Translated by E. Smorgonskaya
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Davydov, S.Y., Posrednik, O.V. Model of a “Two-Dimensional Metal–Graphene-Like Compound” Junction: Consideration for Interaction between the Components. Semiconductors 55, 595–600 (2021). https://doi.org/10.1134/S1063782621070071
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DOI: https://doi.org/10.1134/S1063782621070071