First-Principles Study on Positron States at Li-Adsorbed Al(100) Surfaces: Effect of Electron-Positron Correlation

摘要

We investigated positron states at Li-adsorbed A1 (100) surfaces using ab-initio two-component density functional theory. The results thus obtained by using semi-local electron-positron (e-p) correlation functionals with the generalized gradient approximation well reproduce the experimental results, showing that reliable e-p correlation functionals are needed to properly describe the various properties of positron surface state.