Gradient correction scheme for bulk and defect positron states in materials: New developments

Abstract

As local density approximation positron calculations systematically underestimate positron lifetimes when they are compared with their experimental counterparts, the generalized gradient approximation (GGA) for positrons was introduced in the 1990s, in analogy with the GGA for electrons. New developments in the GGA for positrons are summarized and presented here and it is also discussed how they affect and possibly improve calculated positron lifetimes. In particular, these new GGA approaches are based on the recent perturbed hypernetted-chain and quantum Monte Carlo results.

7 pages, 2 figures, 3 tables; SLOPOS 2013 workshop

References in corpus (3)

• Positron lifetime calculation of the elements of the periodic table
• Quantum Monte Carlo Study of a Positron in an Electron Gas
• Experimental determination of the state-dependent enhancement of the electron-positron momentum density in solids

Cited by in corpus (3)

• Proposed parameter-free model for interpreting the measured positron annihilation spectra of materials using a generalized gradient approximation
• Accurate theoretical prediction on positron lifetime of bulk materials
• Exploring positron characteristics utilizing two new positron-electron correlation schemes based on three electronic-structure calculation methods