67 citations · 122 across the 4 of their papers we have counts for
4 papers
The negative thermal expansion mechanism of zirconium tungstate, ZrW2O8
Leila H. N. Rimmer, Martin T. Dove, Keith Refson
Negative thermal expansion in ZrW2O8 was investigated using a flexibility analysis of ab-initio phonons. It was shown that no previously proposed mechanism adequately describes the…
Simulation study of negative thermal expansion in yttrium tungstate Y2W3O12
Leila H N Rimmer, Martin T Dove
A simulation study of negative thermal expansion in Y2W3O12 was carried out using calculations of phonon dispersion curves through the application of density functional perturbatio…
Framework Flexibility and the Negative Thermal Expansion Mechanism of Copper(I) Oxide, Cu2O
Leila H. N. Rimmer, Martin T. Dove, Björn Winkler +3
The negative thermal expansion (NTE) mechanism in Cu2O has been characterised via mapping of different Cu2O structural flexibility models onto phonons obtained using ab-initio latt…
Simulation study of pressure and temperature dependence of the negative thermal expansion in Zn(CN)
Hong Fang, Martin T. Dove, Leila H. N. Rimmer +1
Pressure and temperature dependence of the negative thermal expansion in Zn(CN) is fully investigated using molecular dynamics simulations with a built potential model. The adv…