Half-metallic behavior and Band alignment of ‎Mn2FeAl/GaAs(001) interface based on density functional ‎theory

Document Type : Full length research Paper

Authors

Department of Physics, Kermanshah Branch, Islamic Azad University, Kermanshah, Iran

Abstract

The electronic ,band offset and magnetic properties of Mn2FeAl /GaAs are investigated by first-principles calculations using density functional theory with generalized gradiant approgximation (GGA).The Mn - Mn/Ga interface is stable in terms of energy. The simultaneous analysis of the shotkey barriers and the electrostatic potential for this structure indicates the type III band alignment, where the valence band edge of Mn2FeAl is higher than that of conduction band edge of Gallium arsenide. We find a valence band offset (VBO) of 1.54eV and conduction band offset(CBO) of 1.39eV. Hence, Mn2FeAl /GaAs (001) is recommended for GMR and TMR applications. There was an electrostatic potential difference of 0.056 μV and also half-metallic behavior in this interface.

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References

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Journal of Research on Many-body Systems
Volume 9, Issue 1
فصل بهار
May 2019
Pages 20-24

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History

  • Receive Date: 28 October 2017
  • Revise Date: 25 February 2019
  • Accept Date: 16 March 2019

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