fig4
Figure 4. Superconductive mechanisms of TeN6. (A) Calculated pressure variation of superconducting critical temperature Tc and EPC parameter λ; (B) Phonon dispersion curves at different pressures; (C) Fermi surface nesting function ξ(q) along special q trajectories; (D) Three-dimensional Fermi surface and the cross-section at 100 GPa. The color bar represents the Fermi velocity on the Fermi surface; it makes blue as the minimum and red as the maximum. FSN occurs along the Γ–P2 direction (black arrow); (E) Pressure-induced variations of electronic DOS N(εF). Red and blue spheres represent the content of 5s, 5p, and 5d occupied orbitals in the IPDOS of atomic Te at Fermi level (s+p% and d%). FSN: fermi surface nesting; DOS: density of states; IPDOS: integral projected density of states.
