Fig. 3

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DFT bands around the gap for (a) relaxed and (b) non-relaxed tb-MoS2 with θ = 5.09°. (c) Zoom in on the bands just below the gap for (red) relaxed and (black) non-relaxed structures. The energy 0 is fixed at the maximum energy of the valence band. Lines are guides for the eye.
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