40 citations · 95 across the 5 of their papers we have counts for
Showing 2017 · cond-mat.mtrl-sciShow all
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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
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…