8 papers
Dual quantum locking: Dynamic coupling of hydrogen and water sublattices in hydrogen filled ice
Loan Renaud, Tomasz Poreba, Simone Di Cataldo +7
Hydrogen hydrates (HH) are a unique class of materials composed of hydrogen molecules confined within crystalline water frameworks. Among their multiple phases, the filled ice stru…
Discovery of a low-density filled-ice phase in nitrogen hydrate at high pressure
Selene Berni, Sophie Espert, Tomasz Poreba +7
We map the high-pressure phase diagram of nitrogen hydrate up to 16 GPa at room temperature by combining neutron diffraction, Raman spectroscopy, and crystal structure prediction.…
Superconducting phase diagram of finite-layer nickelates NdNiO
Andreas Hausoel, Simone Di Cataldo, Motoharu Kitatani +2
Following the successful prediction of the superconducting phase diagram for infinite-layer nickelates, here we calculate the superconducting vs. the number of lay…
Coexistence of charge density wave and field-tuned magnetic states in TmNiC
Kamil K. Kolincio, Marta Roman, Valerio Tammurello +5
Exploring the relations between coexisting, cooperative, or competing types of ordering is a key to identify and harness the mechanisms governing the mutual interactions between th…
Vacancy-Controlled Superconductivity in Rock-Salt Carbides: Towards Predictive Modelling of Real-World Superconductors
Simone Di Cataldo, William Cursio, Lilia Boeri
We critically reexamine the superconducting properties of rock-salt transition-metal carbides (TMCs), often regarded as textbook conventional superconductors, combining first-princ…
Competing charge density wave phases in YNiC2
Marta Roman, Simone Di Cataldo, Berthold Stöger +4
Charge density wave (CDW) orders in YNiC2 are studied by means of combined experimental and computational techniques. On the experimental side, single crystals grown by the floatin…