Effect of oxygen vacancies on electrical conductivity of La<sub>0.5</sub>Sr<sub>0.5</sub>FeO<sub>3−δ</sub> from first-principles calculations
Yonghun Shin, Kyung‐Yeon Doh, Seong Hun Kim, Jun Ho Lee, Hohan Bae, Sun‐Ju Song, Donghwa Lee
Abstract
Metal to semiconductor transition by hole compensation of excess electrons from <italic>V</italic><sub>O</sub> and localized <italic>V</italic><sub>O</sub> state in La<sub>0.5</sub>Sr<sub>0.5</sub>FeO<sub>3−δ</sub> under low <italic>P</italic><sub>O2</sub>.
Topics & Concepts
Electrical resistivity and conductivityMaterials sciencePhysicsQuantum mechanicsElectronic and Structural Properties of OxidesMagnetic and transport properties of perovskites and related materialsAdvancements in Solid Oxide Fuel Cells