Extended Data Figure 9: Spin configurations of the COI and COII structures of LuFe2O4.
From: Atomically engineered ferroic layers yield a room-temperature magnetoelectric multiferroic
a, Left, calculated density of states (DOS) for LuFe2O4 with the COI magnetic ground state, along with the occupancy of the iron 3d channel. Upper and lower panels show the DOS for the Fe2+ and Fe3+ ions, respectively. Oxygen 2p states are plotted in each case. Right, the crystal field splitting from the trigonal bipyramid symmetry and occupancy of the iron 3d channel. b, Low-energy spin configurations of COI and COII states labelled with the corresponding magnetization. Although the ground states of COI and COII have magnetizations of 0.5μB/Fe and 1.17μB/Fe, respectively, each has additional low-energy configurations with M ranging from 0μB/Fe to 1.17μB/Fe. Lutetium, Fe3+, Fe2+ and oxygen are shown in turquoise, yellow (spins in red), green (spins in blue) and brown, respectively. c, Low-energy spin configurations of hole-doped COI and COII states labelled with the corresponding magnetization.
