From the 1 of 72 linked papers with an AI index.
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72 papers
Spin-Flop Ordering from Frustrated Ferro- and Antiferromagnetic Interactions: A Combined Theoretical and Experimental Study of a Monolayer
C. Grazioli, Dario Alfè, S. R. Krishnakumar +8
The occurrence of a noncollinear magnetic structure at a Mn monolayer grown epitaxially on Fe(100) is predicted theoretically, using spinor density-functional theory, and observed…
Unearthing the foundational role of anharmonicity in heat transport in glasses
Alfredo Fiorentino, Enrico Drigo, Stefano Baroni +1
The time-honored Allen-Feldman theory of heat transport in glasses is generally assumed to predict a finite value for the thermal conductivity, even if it neglects the anharmonic b…
Heat conductivity from energy-density fluctuations
Enrico Drigo, Maria Grazia Izzo, Stefano Baroni
We present a method, based on the classical Green-Kubo theory of linear response, to compute the heat conductivity of extended systems, leveraging energy-density, rather than energ…
Self-interaction and transport of solvated electrons in molten salts
Paolo Pegolo, Stefano Baroni, Federico Grasselli
The dynamics of (few) electrons dissolved in an ionic fluid--as when a small amount of metal is added to a solution while upholding its electronic insulation--manifests interesting…
Seebeck coefficient of liquid water from equilibrium molecular dynamics
Enrico Drigo, Stefano Baroni
The application of a temperature gradient to an extended system generates an electromotive force that induces an electric current in conductors and a macroscopic polarization in in…
Hydrodynamic finite-size scaling of the thermal conductivity in glasses
Alfredo Fiorentino, Paolo Pegolo, Stefano Baroni
In the past few years, the theory of thermal transport in amorphous solids has been substantially extended beyond the Allen-Feldman model. The resulting formulation, based on the G…