The cubic antiperovskite structure of Cr3GaN.
The electronic structure of Cr3GaN in the cubic antiperovskite structure. The dashed horizontal line at 0 eV denotes the Fermi level, E F .
(a) Total and partial electronic density of states for Cr3GaN in the cubic antiperovskite structure. The position of the Fermi level is shown by dashed line. (b) Total electronic density of states for the cubic antiperovskite Cr3GaN at different pressures. The position of the Fermi level is shown by the dashed vertical line.
Predicted pressure dependence of the density of stated at the Fermi level for Cr3GaN.
(a) The calculated phonon dispersion curves along high symmetry directions in Brillouin zone for the cubic antiperovskite Cr3GaN. (b) Total and partial phonon density of states for Cr3GaN.
Calculated phonon spectra of Cr3GaN for (a) normal pressure (0 GPa) and (b) 100 GPa, respectively.
(a) The calculated electron-phonon spectral function for Cr3GaN as compared with that of Cr3RhN. (b) The electron-phonon coupling parameter (λ) as a function of pressure for Cr3GaN. (c) The superconductor transition temperature (T C ) as a function of pressure for Cr3GaN. Two choices for have been made: 0.11 and 0.13.
The calculated structural parameters for the cubic antiperovskite Cr3GaN. The obtained results are also compared with those for the cubic antiperovskite Cr3RhN and available experimental results.
Calculated vibration modes (in THz) at Γ for Cr3GaN as compared with its isostructural compound Cr3RhN.
The zone-centre electron-phonon coupling parameters for Cr3GaN as compared with those of its isostructural compound Cr3RhN.
Comparison of superconducting state parameters for Cr3GaN and Cr3RhN. The parameter is taken to be 0.11.
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