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Effective mass and optical properties of orthorhombic Al1−xInxFeO3 perovskite: An ab-initio study

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Abstract Electronic and optical properties of AlFeO3 and Al1−xInxFeO3 (x = 0.25, 0.5, 0.75) are studied using ab-initio calculations. Electronic structure in the vicinity of the conduction band minimum (CBM) and valence… Click to show full abstract

Abstract Electronic and optical properties of AlFeO3 and Al1−xInxFeO3 (x = 0.25, 0.5, 0.75) are studied using ab-initio calculations. Electronic structure in the vicinity of the conduction band minimum (CBM) and valence band maximum (VBM), the effective masses of holes and electrons at the gamma point are calculated. The calculated effective masses of electrons is smaller than that of holes (mc1⊥, mc1‖ (me*)

Keywords: properties orthorhombic; al1 xinxfeo3; mass optical; optical properties; effective mass

Journal Title: Computational Materials Science
Year Published: 2019

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