Study on the electron structure and optical properties of Ga0.5Al0.5As(100) β2(2×4) reconstruction surface

Yu, Xiaohua; Du, Yu; Chang, Baoxian; Ge, Zhonghao; Wang, Honggang; Wang, Meishan

doi:10.1016/j.apsusc.2012.12.036

Cited by 17 publications

(1 citation statement)

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“…This phenomenon has been widely investigated experimentally and theoretically on GaAs [11,12], while scarcely on the comparative research for GaAlAs and GaN. In this paper, eight possible Cs adsorption sites at different atomic layers are chosen for Ga 0.5 Al 0.5 As(0 0 1) surface [13], while five high-symmetry sites are considered in the calculation model of GaN(0 0 0 1) surface. Density functional theory [14][15][16][17] with an ultra-soft pseudopotential method based on first-principle calculation is used to study the influence of Cs coverage on the surface adsorption energy, work functions and dipole moments of adsorption models with one Cs atom at these sites, and provide a theoretical reference for further Cs-o activation process.…”

Section: Introductionmentioning

confidence: 99%

Research on Cs activation mechanism for Ga0.5Al0.5As(001) and GaN(0001) surface

Shen¹,

Chen²,

Qian³

et al. 2015

Applied Surface Science

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Section: Introductionmentioning

confidence: 99%

Research on Cs activation mechanism for Ga0.5Al0.5As(001) and GaN(0001) surface

Shen¹,

Chen²,

Qian³

et al. 2015

Applied Surface Science

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First principle research on Ga rich GaAs0.5P0.5(001) β2(4 × 2) and As(P) rich β2(2 × 4) reconstruction surfaces with and without Cs adsorption

Yang

Pei

2021

Opt Quant Electron

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Based on first principle calculations, Ga rich and As(P) rich clean GaAs0.5P0.5(001) reconstruction surfaces and adsorbed surfaces with 0.125ML coverage of Cs at different sites are researched. Formation energy of Ga rich GaAs0.5P0.5(001) β2(4×2) reconstruction surface is smaller than that of As(P) rich one, and the work functions of Ga rich β2(4×2) and As(P) rich β2(2×4) surfaces are 4.657 eV and 5.187 eV, respectively. The adsorption energies of Cs adatoms on both surfaces are negative, showing that Cs adsorption is a stable exothermic process. The work functions of two surfaces both decrease after Cs adsorption, and the average variation of As(P) rich β2(2×4) surface is larger. Mulliken charge analysis shows that Cs adatoms transfer electrons to GaAsP substrate, resulting in Cs-GaAsP dioples which lower the work functions. When Cs atoms are located at D2 of Ga rich surface and D2' of As(P) rich surface, work function values of the two reconstruction surfaces reach the minimums, which are 2.834eV and 2.859eV, respectively. By calculating dipole moments, it can be found that Cs adatoms on the topmost layer form larger effective dipole moments with GaAsP substrate than the Cs atoms located in the trench.

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