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

Journal of Materials Chemistry A · 2020 · 76 citations · 53 references

Concepts

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>.

References

53