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20082022
most citedA Higher-Accuracy van der Waals Density Functional

2.8k citations · 2.9k across the 8 of their papers we have counts for

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cond-mat.mtrl-sci2022★ 12 cited

Influence of local symmetry on lattice dynamics coupled to topological surface states

Jonathan A. Sobota, Samuel W. Teitelbaum, Yijing Huang +18

We investigate coupled electron-lattice dynamics in the topological insulator Bi2Te3 with time-resolved photoemission and time-resolved x-ray diffraction. It is well established th…

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★ 17 cited

Measurements of Nonequilibrium Interatomic Forces in Photoexcited Bismuth

Samuel W. Teitelbaum, Thomas C. Henighan, Hanzhe Liu +11

We determine experimentally the excited-state interatomic forces in photoexcited bismuth. The forces are obtained by a constrained least-squares fit of the excited-state dispersion…

cond-mat.mtrl-sci2019★ 20 cited

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★ 39 cited

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…

cond-mat.mtrl-sci2017★ 40 cited

Direct Measurement of Anharmonic Decay Channels of a Coherent Phonon

Samuel W. Teitelbaum, Tom Henighan, Yijing Huang +12

We observe anharmonic decay of the photoexcited coherent A1g phonon in bismuth to points in the Brillouin zone where conservation of momentum and energy are satisfied for three-pho…