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ELECTRONIC AND OPTICAL PROPERTIES OF PERFECTMgOANDMgOWITHFCENTER UNDER HIGH PRESSURE

Author

Listed:
  • J. ZHANG

    (Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, P. R. China)

  • Z. ZENG

    (Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, P. R. China;
    Department of Physics, University of Science and Technology of China, Hefei 230026, P. R. China)

Abstract

A first-principle method is used to investigate the electronic structure and optical properties ofMgOandMgOcontaining an oxygen vacancy. In the presence of the oxygen vacancy, a new electronic state appears in the band gap, which leads to additional peaks in the optical spectra. Furthermore, under applied pressure, the band gaps become larger, and the curves of optical properties including the dielectric functionε(ω)and absorption coefficientα(ω)shift towards higher energy. The knowledge ofMgOandMgOwithFcenter under high pressure may provide insight into their practical applications.

Suggested Citation

  • J. Zhang & Z. Zeng, 2013. "ELECTRONIC AND OPTICAL PROPERTIES OF PERFECTMgOANDMgOWITHFCENTER UNDER HIGH PRESSURE," International Journal of Modern Physics C (IJMPC), World Scientific Publishing Co. Pte. Ltd., vol. 24(08), pages 1-7.
    • Handle: RePEc:wsi:ijmpcx:v:24:y:2013:i:08:n:s0129183113500526
    DOI: 10.1142/S0129183113500526
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