Cs ADSORPTION ON GaAS(001) As-RICH β2 (2×4) AND Ga-RICH (4×2) RECONSTRUCTION PHASES: A FIRST-PRINCIPLES RESEARCH
| Autor: | Huixia Sun, Guirong Shao, Xiaohua Yu |
|---|---|
| Rok vydání: | 2020 |
| Předmět: |
010302 applied physics
Materials science Computer Science::Information Retrieval Astrophysics::Instrumentation and Methods for Astrophysics Atom (order theory) Computer Science::Computation and Language (Computational Linguistics and Natural Language and Speech Processing) 02 engineering and technology Surfaces and Interfaces Electronic structure 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences Molecular physics Surfaces Coatings and Films Pseudopotential Condensed Matter::Materials Science Adsorption Phase (matter) 0103 physical sciences Materials Chemistry Computer Science::General Literature Density functional theory 0210 nano-technology |
| Zdroj: | Surface Review and Letters. 28:2150007 |
| ISSN: | 1793-6667 0218-625X |
| Popis: | Using plane-wave ultrasoft pseudopotential method based on first-principles density functional theory (DFT), the adsorption of Cs atom on As-rich GaAs(001)[Formula: see text]([Formula: see text]) reconstruction phase and Ga-rich GaAs(001)([Formula: see text]) reconstruction phase are investigated. The adsorption energy, work function, dipole moment, ionicity, band structure and density of state (DOS) of Cs adsorbed GaAs [Formula: see text]([Formula: see text]) and ([Formula: see text]) models are calculated. The stability and electronic structure of Cs adsorbed GaAs [Formula: see text]([Formula: see text]) and ([Formula: see text]) models are compared. Result shows that [Formula: see text]([Formula: see text]) phase is stable than the ([Formula: see text]) phase and after that Cs adsorption [Formula: see text]([Formula: see text]) phase is more beneficial for photoemission. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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