Search
Now showing items 1-1 of 1
Negative thermal expansion of ScF3: First principles vs empirical molecular dynamics
(Institute of Physics Publishing, 2019)
The crystal lattice of cubic scandium fluorine (ScF3) exhibits negative thermal expansion (NTE) over a wide range of temperatures from 10 K to 1100 K. Here the NTE effect in ScF3 is studied using atomistic simulations based ...