Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Binci, Luca"'
Spin excitations play a fundamental role in understanding magnetic properties of materials, and have significant technological implications for magnonic devices. However, accurately modeling these in transition-metal and rare-earth compounds remains
Externí odkaz:
http://arxiv.org/abs/2409.19504
Density-functional theory with extended Hubbard functionals (DFT+$U$+$V$) provides a robust framework to accurately describe complex materials containing transition-metal or rare-earth elements. It does so by mitigating self-interaction errors inhere
Externí odkaz:
http://arxiv.org/abs/2406.02457
Autor:
Binci, Luca, Marzari, Nicola
Publikováno v:
Phys. Rev. B 108, 115157 (2023)
The magnetic, noncollinear parametrization of Dudarev's DFT+$U$ method is generalized to fully-relativistic ultrasoft pseudopotentials. We present the definition of the DFT+$U$ total energy functional, and the calculation of forces and stresses in th
Externí odkaz:
http://arxiv.org/abs/2304.10178
Autor:
Marchese, Guglielmo, Macheda, Francesco, Binci, Luca, Calandra, Matteo, Barone, Paolo, Mauri, Francesco
Interactions mediated by electron-phonon coupling are responsible for important cooperative phenomena in metals such as superconductivity and charge-density waves. The same interaction mechanisms produce strong collision rates in the normal phase of
Externí odkaz:
http://arxiv.org/abs/2303.00741
Publikováno v:
Physical Review Research 5, 033146 (2023)
For decades transition-metal oxides have generated a huge interest due to the multitude of physical phenomena they exhibit. In this class of materials, the rare-earth nickelates, $R$NiO$_3$, stand out for their rich phase diagram stemming from comple
Externí odkaz:
http://arxiv.org/abs/2212.12529
Topological materials have been a main focus of studies in the past decade due to their protected properties that can be exploited for the fabrication of new devices. Among them, Weyl semimetals are a class of topological semimetals with non-trivial
Externí odkaz:
http://arxiv.org/abs/2208.11412
Publikováno v:
Phys. Rev. B 102, 235159 (2020)
We present a derivation of the exact expression for Pulay forces in density-functional theory calculations augmented with extended Hubbard functionals, and arising from the use of orthogonalized atomic orbitals as projectors for the Hubbard manifold.
Externí odkaz:
http://arxiv.org/abs/2010.13485
Publikováno v:
Phys. Rev. B 103, 134304 (2021)
We develop an ab initio method to simulate the infrared vibrational response of metallic systems in the framework of time-dependent density functional perturbation theory. By introducing a generalized frequency-dependent Born effective charge tensor,
Externí odkaz:
http://arxiv.org/abs/2006.02376
Autor:
de Jong, Damaz, van Veen, Jasper, Binci, Luca, Singh, Amrita, Krogstrup, Peter, Kouwenhoven, Leo P., Pfaff, Wolfgang, Watson, John D.
Publikováno v:
Phys. Rev. Applied 11, 044061 (2019)
Dispersive sensing is a powerful technique that enables scalable and high-fidelity readout of solid-state quantum bits. In particular, gate-based dispersive sensing has been proposed as the readout mechanism for future topological qubits, which can b
Externí odkaz:
http://arxiv.org/abs/1812.08609
Topological materials have been one of the main focus of studies in the past decade due to their topologically protected properties that can be exploited for the fabrication of new devices. Weyl semimetals are a class of topological semimetals with n
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8e3a075082038fbef64760f96c0dd9c8
http://arxiv.org/abs/2208.11412
http://arxiv.org/abs/2208.11412