Showing 1 - 1 of 1 UKAEA Paper Results
2020
UKAEA-CCFE-PR(23)86
Jacob Chapman Pui-Wai Ma Sergei Dudarev
Fundamental flaws in the Heisenberg Hamiltonian are highlighted in the context of its application to BCC Fe, including the particular issues arising when modelling lattice defects. Exchange integrals are evaluated using the magnetic force theorem. The bilinear exchange coupling constants are calculated for all the interacting pairs of atomic ma…
Published