3 papers
cond-mat.mtrl-sci2020
Structural and thermal transport properties of ferroelectric domain walls in GeTe from first principles
Đorđe Dangić, Éamonn D. Murray, Stephen Fahy +1
Ferroelectric domain walls are boundaries between regions with different polarization orientations in a ferroelectric material. Using first principles calculations, we characterize…
cond-mat.mtrl-sci2019
Ultrafast relaxation of symmetry-breaking photo-induced atomic forces
Shane M. O'Mahony, Felipe Murphy-Armando, Éamonn D. Murray +3
We present a first-principles method for the calculation of the temperature-dependent relaxation of symmetry-breaking atomic driving forces in photoexcited systems. We calculate th…
cond-mat.mtrl-sci2018
Acoustic-Soft Optical Mode Coupling Leads to Negative Thermal Expansion of GeTe near the Ferroelectric Phase Transition
Đorđe Dangić, Aoife R. Murphy, Éamonn D. Murray +2
GeTe is a well-known ferroelectric and thermoelectric material that undergoes a structural phase transition from a rhombohedral to the rocksalt structure at K. We pr…