Figure 4: Density of states, elevated temperature calculations of Sr2IrO4.
From: Atomically resolved spectroscopic study of Sr2IrO4: Experiment and theory
(a), LDA partial density of states of Sr2IrO4 projected onto Ir d states with consideration of AF ordering. (b), same as (a) but without AF ordering. (c), A series of PDOS projected onto Jeff = 1/2 and 3/2 states of Ir obtained with LDA+DMFT for temperatures varying up to TN. The blue and red lines are |J, Jz> = |1/2, 1/2> and |1/2, −1/2>, respectively and the grey lines are J = 3/2 states. The gap value for temperature is estimated by the splitting between lower and upper Hubbard band as indicated. (d), Staggered magnetization M and the gap width as a function of temperature.
