80 citations · 113 across the 10 of their papers we have counts for
Showing 2023Show all
2 papers · 1 filter
cond-mat.mtrl-sci2023
Mechanism of charge transport in lithium thiophosphate
Lorenzo Gigli, Davide Tisi, Federico Grasselli +1
Lithium ortho-thiophosphate (LiPS) has emerged as a promising candidate for solid-state-electrolyte batteries, thanks to its highly conductive phases, cheap components, and…
cond-mat.mtrl-sci2023
Modeling the ferroelectric phase transition in barium titanate with DFT accuracy and converged sampling
Lorenzo Gigli, Alexander Goscinski, Michele Ceriotti +1
The accurate description of the structural and thermodynamic properties of ferroelectrics has been one of the most remarkable achievements of Density Functional Theory (DFT). Howev…