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Cs ADSORPTION ON GaAS(001) As-RICH β2 (2×4) AND Ga-RICH (4×2) RECONSTRUCTION PHASES: A FIRST-PRINCIPLES RESEARCH

Author

Listed:
  • XIAOHUA YU

    (Department of Physics and Electronic Engineering, Yuncheng University, Yuncheng 044000, P. R. China)

  • HUIXIA SUN

    (Department of Physics and Electronic Engineering, Yuncheng University, Yuncheng 044000, P. R. China)

  • GUIRONG SHAO

    (Department of Physics and Electronic Engineering, Yuncheng University, Yuncheng 044000, P. R. China)

Abstract

Using plane-wave ultrasoft pseudopotential method based on first-principles density functional theory (DFT), the adsorption of Cs atom on As-rich GaAs(001)β2(2×4) reconstruction phase and Ga-rich GaAs(001)(4×2) reconstruction phase are investigated. The adsorption energy, work function, dipole moment, ionicity, band structure and density of state (DOS) of Cs adsorbed GaAs β2(2×4) and (4×2) models are calculated. The stability and electronic structure of Cs adsorbed GaAs β2(2×4) and (4×2) models are compared. Result shows that β2(2×4) phase is stable than the (4×2) phase and after that Cs adsorption β2(2×4) phase is more beneficial for photoemission.

Suggested Citation

  • Xiaohua Yu & Huixia Sun & Guirong Shao, 2021. "Cs ADSORPTION ON GaAS(001) As-RICH β2 (2×4) AND Ga-RICH (4×2) RECONSTRUCTION PHASES: A FIRST-PRINCIPLES RESEARCH," Surface Review and Letters (SRL), World Scientific Publishing Co. Pte. Ltd., vol. 28(03), pages 1-8, March.
    • Handle: RePEc:wsi:srlxxx:v:28:y:2021:i:03:n:s0218625x21500074
    DOI: 10.1142/S0218625X21500074
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