89 citations · 370 across the 12 of their papers we have counts for
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cond-mat.mtrl-sci2017★ 37 cited
Importance of elastic finite-size effects: neutral defects in ionic compounds
P. A. Burr, M. W. D. Cooper
Small system sizes are a well known source of error in DFT calculations, yet computational constraints frequently dictate the use of small supercells, often as small as 96 atoms in…
cond-mat.mtrl-sci2017★ 20 cited
Defect processes in BeX Beryllides
Matthew L Jackson, Patrick A Burr, Robin W Grimes
The stability of intrinsic point defects in BeX intermetallics (where X = Ti, V, Mo or W) are predicted using density functional theory simulations and discussed with respec…