Andrea Sanson. On the switching between negative and positive thermal expansion in framework materials[J]. Materials Research Letters, 2019, 7(10): 412-417.
DOI:
Andrea Sanson. On the switching between negative and positive thermal expansion in framework materials[J]. Materials Research Letters, 2019, 7(10): 412-417.DOI: 10.1080/21663831.2019.1621957.
On the switching between negative and positive thermal expansion in framework materials
BSTRACTThe control of thermal expansion represents a challenge in materials design. This work shows that the length of the lattice parameter is a key element for controlling thermal expansion. By varying the lattice parameter through external pressure
chemical or other methods
the single-well potential energy of the polyhedra rotations (or of the atomic transverse vibrations) responsible for negative thermal expansion (NTE)
can be turned into a quartic anharmonic potential or into a double-well potential
thus enhancing or suppressing the NTE
respectively. This result applied to framework materials should be taken into account to overcome the challenge of controlling thermal expansion.