Fig. 4: Phonon structures and superconducting parameters of P63/mmc-ZrNH2 and \(F\bar{4}3m\)-ZrNH. | Communications Materials

Fig. 4: Phonon structures and superconducting parameters of P63/mmc-ZrNH2 and \(F\bar{4}3m\)-ZrNH.

From: Superconductivity of zirconium-nitrogen hydrides at megabar pressures

Fig. 4: Phonon structures and superconducting parameters of P63/mmc-ZrNH2 and $$F\bar{4}3m$$ F 4 ¯ 3 m -ZrNH.

Phonon spectra, phonon density of states (PhDOS) projected on atoms, Eliashberg spectral function α2F(ω), and electron-phonon coupling integral λ(ω). a–c correspond to P63/mmc-ZrNH2 at 150 GPa, and (d–f) correspond to \(F\bar{4}3m\)-ZrNH at 145 GPa. The Raman active mode (Ag and B3g) and infrared active mode (B2u, Au, and B3u) at the Brillouin zone center are labeled for P63/mmc-ZrNH2, and the Raman active mode (A1) and Raman + infrared active mode (T1 and T2) at the Brillouin zone center are also labeled for \(F\bar{4}3m\)-ZrNH.

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