Two-Component Density Functional Calculations of Positron Lifetimes for Band-Gap Crystals

概要

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Lifetimes of positrons in perfect crystals having band gaps are calculated using the two-component density functional theory. For electron–positron correlation, we use the local density approximation (LDA) and the correction of the LDA using a high-frequency dielectric constant. While the LDA is found to slightly underestimate positron lifetimes, the correction of the LDA well reproduces experimental lifetimes. We discuss the quality of crystals used in a positron annihilation experiment by comparing theoretical and experimental positron lifetimes.
Published by the Japan Society of Applied Physics through the Institute of Pure and Applied Physicsの論文
2008-04-25