Zobrazeno 1 - 10
of 66
pro vyhledávání: '"di Cataldo, Simone"'
Autor:
Si, Liang, Jacob, Eric, Wu, Wenfeng, Hausoel, Andreas, Krsnik, Juraj, Worm, Paul, Di Cataldo, Simone, Janson, Oleg, Held, Karsten
Conflicting theoretical scenarios for infinite-layer nickelate superconductors have been hotly debated, particularly regarding whether {only} a single Ni-3$d_{x^2-y^2}$ band is relevant at low energies besides electron pockets or whether multi-orbita
Externí odkaz:
http://arxiv.org/abs/2408.12985
Autor:
Di Cataldo, Simone, Rescigno, Maria, Monacelli, Lorenzo, Ranieri, Umbertoluca, Gaal, Richard, Klotz, Stefan, Ollivier, Jacques, Koza, Michael Marek, De Michele, Cristiano, Bove, Livia Eleonora
Hydrogen hydrates present a rich phase diagram influenced by both pressure and temperature, with the so-called C$_2$ phase emerging prominently above 2.5 GPa. In this phase, hydrogen molecules are densely packed within a cubic ice-like lattice and th
Externí odkaz:
http://arxiv.org/abs/2405.14665
Autor:
Garmroudi, Fabian, Serhiienko, Illia, Di Cataldo, Simone, Parzer, Michael, Riss, Alexander, Grasser, Matthias, Stockinger, Simon, Khmelevskyi, Sergii, Pryga, Kacper, Wiendlocha, Bartlomiej, Held, Karsten, Mori, Takao, Bauer, Ernst, Pustogow, Andrej
Thermoelectric (TE) materials are useful for applications such as waste heat harvesting or efficient and targeted cooling. While various strategies towards superior thermoelectrics through a reduction of the lattice thermal conductivity have been dev
Externí odkaz:
http://arxiv.org/abs/2404.08067
We present the first $ab$-$initio$ study of superconductivity in NbTi, the workhorse for many applications. Despite its apparent simplicity, NbTi turns out to be a major challenge for computational superconductivity. In fact, anharmonic effects are c
Externí odkaz:
http://arxiv.org/abs/2403.15196
This paper introduces the HEX (High-pressure Elemental Xstals) database, a complete database of the ground-state crystal structures of the first 57 elements of the periodic table, from H to La, at 0, 100, 200 and 300 GPa. HEX aims to provide a unifie
Externí odkaz:
http://arxiv.org/abs/2403.09587
Publikováno v:
Nature Communications 5, 3952 (2024)
High-temperature unconventional superconductivity quite generically emerges from doping a strongly correlated parent compound, often (close to) an antiferromagnetic insulator. The recently developed dynamical vertex approximation is a state-of-the-ar
Externí odkaz:
http://arxiv.org/abs/2311.06195
Motivated by unexpected reports of a 26 K superconducting transition in elemental titanium at high pressure, we carry out an accurate ab-initio study of its properties to understand the rationale for this observation. The critical superconducting tem
Externí odkaz:
http://arxiv.org/abs/2308.14672
Autor:
Si, Liang, Wallerberger, Markus, Smolyanyuk, Andriy, di Cataldo, Simone, Tomczak, Jan M., Held, Karsten
We briefly review the status quo of research on the putative superconductor Pb$_9$Cu(PO$_4$)$_6$O also known as LK-99. Further, we provide {\em ab initio} derived tight-binding parameters for a two- and five-band model, and solve these in dynamical-m
Externí odkaz:
http://arxiv.org/abs/2308.04427
Autor:
Di Cataldo, Simone, Boeri, Lilia
In this paper we present a first-principles study of the high-pressure superconducting phase diagram of calcium alanates (Ca-Al-H), based on ab-initio crystal structure prediction and anisotropic Migdal-Eliashberg Theory. Calcium alanates have been i
Externí odkaz:
http://arxiv.org/abs/2305.09541
Autor:
Ferreira, Pedro P., Conway, Lewis J., Cucciari, Alessio, Di Cataldo, Simone, Giannessi, Federico, Kogler, Eva, Eleno, Luiz T. F., Pickard, Chris J., Heil, Christoph, Boeri, Lilia
Publikováno v:
Nat Commun 14, 5367 (2023)
Motivated by the recent report of room-temperature superconductivity at near-ambient pressure in N-doped lutetium hydride by Dasenbrock et al. [Nature 615, 244 (2023)], we performed a comprehensive, detailed study of the phase diagram of the Lu-N-H s
Externí odkaz:
http://arxiv.org/abs/2304.04447