46 citations · 89 across the 6 of their papers we have counts for
7 papers
The nuts and bolts of gauge invariance of heat transport
Stefano Baroni
In this work I revisit the notion of gauge invariance in thermal transport and show, in the simplest and most general possibile terms, why heat conductivity is unaffected by the sp…
Glassy Dynamics from First-Principles Simulations
Florian Pabst, Stefano Baroni
The microscopic understanding of the dramatic increase in viscosity of liquids when cooled towards the glass transition is a major unresolved issue in condensed matter physics. Her…
Green and Kubo forge the arrow of time
Stefano Baroni
Transport theory describes the response of a macroscopic current to a thermodynamic force, thus producing entropy and apparently violating time-reversal symmetry. In this note I re…
Evidence of ferroelectric features in low-density supercooled water from ab initio deep neural-network simulations
Cesare Malosso, Natalia Manko, Maria Grazia Izzo +2
Over the last decade, an increasing body of evidence has emerged, supporting the existence of a metastable liquid-liquid critical point in supercooled water, whereby two distinct l…
Thermal transport in a 2D amorphous material
Yuxi Wang, Xingxing Zhang, Wujuan Yan +12
Two-dimensional (2D) crystals proved revolutionary soon after graphene was discovered in 2004. However, 2D amorphous materials only became accessible in 2020 and remain largely une…
Magnon-phonon interactions enhance the gap at the Dirac point in the spin-wave spectra of CrI two-dimensional magnets
Pietro Delugas, Oscar Baseggio, Iurii Timrov +2
Recent neutron-diffraction experiments in honeycomb CrI quasi-2D ferromagnets have evinced the existence of a gap at the Dirac point in their spin-wave spectra. The existence o…
Structural and Electronic Properties of a Wide-gap Semiconductor Alloy: Zn_xMg_{1-x}S_ySe_{1-y}
Antonino Marco Saitta, Stefano de Gironcoli, Stefano Baroni
The structural properties of the solid solutions are determined by a combination of the computational alchemy and the cluster expansion methods with Monte…