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One reason is that the volume of your third BZ is twice the volume of your first BZ. To see it another way, notice that the black dot on the far right (the middle of the three vertical dots) is a BZ center, a $\Gamma$ point. The black dot directly above that one (far upper right corner) is also a $\Gamma$ point, but it must be in the next BZ. Half-way ...

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You're right, the usual language of band theory doesn't apply in the out-of-plane direction. The system really becomes a quantum well in that direction, so you will have a discrete spectrum of energy levels and there won't be any dispersion with $k_z$ ($dE/dk_z = 0$) if $z$ is out of the plane. The relevant tunneling processes in that paper are basically ...

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The values of $E_c$ and $E_v$ in the band diagram depend on the point of reference. So yes they can have negative values if you chose your reference that way. Keep in mind that their difference $E_g$ stays constant nonetheless. Electrons are fermions and therefore governed by Fermi-Dirac statistics. That means that they have to comply with the Pauli ...

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There is one relevant gap in semiconductor physics: the gap between the highest fully occupied energy band (valence band) and the lowest unoccupied band (conduction band). But there are also gaps between other energy bands. The thing is just that they are not very relevant for the semiconducting effect. Between full bands they have no effect because there is ...

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In general, or as far as I'm aware, the band diagrams and Density of States shown in your question are electronic band structures. You can also see this from the graph's legend which shows that you're dealing with d and p orbitals belonging to W and S. However, looking at the numbers in your question, I can see where the confusion comes from. The direct ...

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The main confusion was coming from the $x$ and $y$ axes of the phonon dispersion curves diagram having the same units (cm$^{-1}$), because of the choice of the natural unit system. However, two axes obviously have different meanings. The $x$ axis in the phonon dispersion diagram represents the momenta of phonons, while the $y$ axis represents the energy of ...

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