682 citations · 1.2k across the 17 of their papers we have counts for
6 papers · 1 filter
Classical turning surfaces in solids: When do they occur, and what do they mean?
Aaron D. Kaplan, Stewart J. Clark, Kieron Burke +1
Classical turning surfaces of Kohn-Sham potentials, separating classically-allowed regions (CARs) from classically-forbidden regions (CFRs), provide a useful and rigorous approach…
Magnetic phases of skyrmion-hosting GaVSSe () probed with muon spectroscopy
Kévin J. A. Franke, Benjamin M. Huddart, Thomas J. Hicken +10
We present the results of a muon-spin spectroscopy investigation of GaVSSe with and 8. Zero-field measurements suggest that GaVSe and GaV$…
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…
The nature of the electronic band gap in lanthanide oxides
Roland Gillen, Stewart J. Clark, John Robertson
Accurate electronic structures of the technologically important lanthanide/rare earth sesquioxides (Ln2O3, with Ln=La,...,Lu) and CeO2 have been calculated using hybrid density fun…
Optimized Effective Potential Using The Hylleraas Variational Method
Tom W. Hollins, Stewart J. Clark, Keith Refson +1
In electronic structure calculations the optimized effective potential (OEP) is a method that treats exchange interactions exactly using a local potential within density-functional…
The beta Phase of Multiferroic Bismuth Ferrite and its beta-gamma Metal-Insulator Transition
R. Palai, R. S. Katiyar, H. Schmid +5
We show that epitaxial (001) thin films of multiferroic bismuth ferrite BiFeO3 are monoclinic at room temperature instead of tetragonal or Rhombohedral as reported earlier . We rep…