Table 1 The calculated electron–phonon coupling (EPC) parameter λ, logarithmic average phonon frequency ωlog, electron density of states at the Fermi level (NEf, states/spin/Ry/cell), angular momentum components of the DOS at the Fermi level, superconducting critical temperature Tc for compounds YTmH12, YbTmH12, LuTmH12 and LaTmH12 and binary hexahydrides, including YH6, TmH6, YbH6, LuH6, LaH6.
From: Superconductivity of thulium substituted clathrate hexahydrides at moderate pressure
Compounds | Pressure (GPa) | λ | ωlog (K) | NEf | States/spin/Ry/cell | Tc (K) | ||||
|---|---|---|---|---|---|---|---|---|---|---|
X-d | X-f | Tm-d | Tm-f | H–s | ||||||
YTmH12 | 80 | 1.09 | 583 | 32.4 | 2.1 | 0 | 1.3 | 24.6 | 4.4 | 40–46 |
YbTmH12 | 60 | 1.04 | 657 | 37.6 | 1.2 | 1.5 | 0.7 | 31.6 | 2.6 | 42–48 |
LuTmH12 | 70 | 1.10 | 596 | 32.4 | 2.2 | 0 | 1.4 | 22.6 | 6.2 | 42–48 |
LaTmH12 | 170 | 0.79 | 530 | 30.2 | 1.7 | 0 | 1.2 | 23.0 | 4.3 | 19–24 |
YH6 | 120 | 3.06 | 829 | 4.7 | 2.0 | 0 | – | – | 2.2 | 251–26430 |
TmH6 | 50 | 0.72 | 612 | 29.6 | – | – | 0.7 | 27.4 | 1.3 | 19–2532 |
YbH6 | 70 | 2.22 | 652 | 8.4 | 1.0 | 4.3 | – | – | 2.7 | 121–13132 |
LuH6 | 100 | 3.60 | 751 | 4.8 | 0.1 | 0 | – | – | 4.5 | 227–24332 |
LaH6 | 100 | 1.83 | 1244 | 4.5 | 0.8 | 0 | – | – | 3.6 | 156–17416 |
