Figure 5
From: Spin-charge-lattice coupling in YBaCuFeO5: Optical properties and first-principles calculations
(a) Calculated electronic band structure, density of states (DOS), and (b) calculated and experimental optical absorption coefficient of YBaCuFeO5. The inset in (b) depicts the atomic structure of the simulation model with dark cyan, green, blue, brown, and red spheres representing the Y, Ba, Cu, Fe, and O atoms, respectively. The pyramids formed by oxygen atoms embracing Cu and Fe atoms are also highlighted.
