70 citations · 377 across the 14 of their papers we have counts for
14 papers
Euphonic: inelastic neutron scattering simulations from force constants and visualisation tools for phonon properties
Rebecca Fair, Adam Jackson, David Voneshen +4
Interpretation of vibrational inelastic neutron scattering spectra of complex systems is frequently reliant on accompanying simulations from theoretical models. Ab-initio codes can…
Kagome modes, a new route to ultralow thermal conductivity?
D. J. Voneshen, M. Ciomaga Hatnean, T. G. Perring +4
From next generation gas turbines to scavenging waste heat from car exhausts, finding new materials with ultra-low thermal conductivity () has the potential to lead to large gai…
Theory of momentum-resolved phonon spectroscopy in the electron microscope
R. J. Nicholls, F. S. Hage, D. G. McCulloch +3
We provide a theoretical framework for the prediction and interpretation of momentum dependent phonon spectra due to coherent inelastic scattering of electrons. We complete the app…
Many-body renormalisation of forces in f-electron materials
Evgeny Plekhanov, Phil Hasnip, Vincent Sacksteder +4
We present the implementation of Dynamical Mean-Field Theory (DMFT) in the CASTEP \emph{ab-initio} code. We explain in detail the theoretical framework for DFT+DMFT and we demonstr…
A local Fock-exchange potential in Kohn-Sham equations
T. W. Hollins, S. J. Clark, K. Refson +1
We derive and employ a local potential to represent the Fock exchange operator in electronic single-particle equations. This local Fock-exchange (LFX) potential is very similar to…
Multiband one-dimensional electronic structure and spectroscopic signature of Tomonoga-Luttinger liquid behavior in KCrAs
M. D. Watson, Y. Feng, C. W. Nicholson +8
We present Angle-Resolved Photoemission Spectroscopy measurements of the quasi-one dimensional superconductor KCrAs. We find that the Fermi surface contains two Fermi s…