activity
20142023
most citedComplex low energy tetrahedral polymorphs of group IV elements from first-principles

143 citations · 145 across the 3 of their papers we have counts for

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cond-mat.mtrl-sci2023

First-principles calculations of magnetic states in pyrochlores using a source-corrected exchange and correlation functional

Z. Hawkhead, N. Gidopoulos, S. J. Blundell +2

We present a first-principles investigation of the spin-ice state in DyTiO using a magnetic source-free exchange and correlation functional, implemented in the Castep e…