Accurate theoretical prediction on positron lifetime of bulk materials

Abstract

Based on the first-principles calculations, we perform an initiatory statistical assessment on the reliability level of theoretical positron lifetime of bulk material. We found the original generalized gradient approximation (GGA) form of the enhancement factor and correlation potentials overestimates the effect of the gradient factor. Furthermore, an excellent agreement between model and data with the difference being the noise level of the data is found in this work. In addition, we suggest a new GGA form of the correlation scheme which gives the best performance. This work demonstrates that a brand-new reliability level is achieved for the theoretical prediction on positron lifetime of bulk material and the accuracy of the best theoretical scheme can be independent on the type of materials.

9 pages, 2 figure, 3 tables

References in corpus (6)

• Positron-molecule interactions: resonant attachment, annihilation, and bound states
• Positron scattering and annihilation on noble gas atoms
• Improved generalized gradient approximation for positron states in solids
• Gradient correction scheme for bulk and defect positron states in materials: New developments
• Enhancement models of momentum densities of annihilating electron-positron pairs: the many-body picture of natural geminals
• Sensitiveness of the ratio between monovacancy and bulk positron lifetimes to the approximations used in the calculations: Periodic behaviour

Cited by in corpus (3)

• Strengthening magnesium by design: integrating alloying and dynamic processing
• e${}^{+}$/e${}^{-}$ Discrimination in Liquid Scintillator and Its Usage to Suppress ${}^8$He/${}^9$Li Backgrounds
• Exploring positron characteristics utilizing two new positron-electron correlation schemes based on three electronic-structure calculation methods