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. 2016 May 23;7:11711. doi: 10.1038/ncomms11711

Figure 4. Interplay of interlayer interactions and intralayer inversion symmetry breaking.

Figure 4

(a,b) DFT calculations of the (a) out-of-plane and (b) in-plane spin polarization of the three-dimensional Fermi surface of NbSe2 projected onto the first layer of the unit cell. (c,d) Calculated electronic structure along (c) A-L-H-A (kz=π/c) and (d) Γ-M-K-Γ (kz=0) with and without SOC. (e) Corresponding influence of SOC on the Fermi surface contours in the Γ-K-H-A and Γ-M-L-A planes (shown throughout the full three-dimensional Brillouin zone in Supplementary Fig. 2). (f) Our experimental ARPES measurements of such kz-dependent Fermi surfaces (hν=60–130 eV) are in good general agreement with the theoretical calculations including SOC, supporting a SOC-mediated suppression of interlayer hopping in the Γ-K-H-A plane.