Inorganic Chemistry · 2017 · 49 citations · 61 references
Natural SciencesMaterials SciencePhysicsCondensed Matter PhysicsMaterials PhysicsSolid State PhysicsAb Initio MethodsCrystal ChemistryElectron-phonon InteractionsHigh-pressure ThermodynamicsMetalsSuperconducting MaterialsElectron-phonon ScatteringHigh-pressure Phase BehaviorHigh-pressure Phase StabilityHigh-temperature SuperconductivityMetal HydridesMetallic CharacterPhonon-phonon InteractionsThermodynamics Of Ionic Solids
High-pressure structures of tantalum hydrides were investigated over a wide pressure range of 0–300 GPa by utilizing evolutionary structure searches. TaH and TaH 2 were found to be thermodynamically stable over this entire pressure range, whereas TaH 3, TaH 4, and TaH 6 become thermodynamically stable at pressures greater than 50 GPa. The dense Pnma (TaH 2 ), R 3̅ m (TaH 4 ), and Fdd 2 (TaH 6 ) compounds possess metallic character with a strong ionic feature. For the highly hydrogen-rich phase of Fdd 2 (TaH 6 ), a calculation of electron–phonon coupling reveals the potential high- T c superconductivity with an estimated value of 124.2–135.8 K.
61
Transition Temperature of Strong-Coupled Superconductors
W. L. McMillan · Physical Review · 1968 · 5.8K citations
Conventional superconductivity at 203 kelvin at high pressures in the sulfur hydride system
M. I. Eremets, I. A. Troyan, Vadim Ksenofontov et al. · Nature · 2015 · 2.7K citations · Full text