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 Dy${}_2$Ti${}_2$O${}_7$ using a magnetic source-free exchange and correlation functional, implemented in the Castep e…