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Phonons Softening in Tip-Stretched Monatomic Nanowires
F. Picaud, A. Dal Corso, E. Tosatti
It has been shown in recent experiments that electronic transport through a gold monatomic nanowire is dissipative above a threshold voltage due to excitation of phonons via the el…
Coulomb couplings in positively charged fullerene
Martin Lueders, Andrea Bordoni, Nicola Manini +3
We compute, based on density-functional electronic-structure calculations, the Coulomb couplings in the h_u highest occupied orbital of molecular C60. We obtain a multiplet-average…
Ferroelectricity and isotope effects in hydrogen-bonded KDP crystals
S. Koval, J. Kohanoff, R. L. Migoni +1
Based on an accurate first principles description of the energetics in H-bonded KDP, we conduct a first study of nuclear quantum effects and of the changes brought about by deutera…
Theory of Quantum Annealing of an Ising Spin Glass
Giuseppe E. Santoro, Roman Martonak, Erio Tosatti +1
Probing the lowest energy configuration of a complex system by quantum annealing was recently found to be more effective than its classical, thermal counterpart. Comparing classica…
Sensitivity of the Mott Transition to Non-cubic Splitting of the Orbital Degeneracy: Application to NH3 K3C60
Nicola Manini, Giuseppe E. Santoro, Andrea Dal Corso +1
Within dynamical mean-field theory, we study the metal-insulator transition of a twofold orbitally degenerate Hubbard model as a function of a splitting Δof the degeneracy. The pha…