Fig. 5: DFT simulation results.
From: Strong modulation of carrier effective mass in WTe2 via coherent lattice manipulation
a Fermi surface of WTe2 plotted using FermiSurfer57. The color scale indicates the modulus of the Fermi velocity. Coherent optical phonons at b ≈0.24 THz (shear mode) and c ≈ 2.4 THz as derived from DFPT and plotted using XCrySDen58. d Band dispersion along X* (0.3 0 0) – Γ (0 0 0) around the Fermi level. Selected interesting regions are highlighted for the following analysis. e Example of band structures modifications at P1 due to the phononic displacements (from –700 to 700 fm with the steps shown in panel g, i. f–i Effective mass changes around P1 (0.228 0 0), P2 (0.123 0 0), P3 (0.117 0 0), and P4 (0.093 0 0); these coordinates are expressed in reciprocal lattice units. W#1 refers to the labeling for the unit cell atoms reported in Fig. 1b.
