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Positron lifetime calculation for the elements of the periodic table
J M Campillo Robles1, E Ogando, F Plazaola
1Oinarrizko Zientziak Saila, Goi Eskola Politeknikoa, Mondragon Unibertsitatea, 20500 Arrasate, Basque Country.
Summary
Theoretical calculations reveal periodic trends in positron lifetimes across elements, consistent with experimental data. This study confirms monovacancy lifetimes also follow this atomic number-dependent behavior.
Area of Science:
- Condensed Matter Physics
- Materials Science
- Quantum Chemistry
Background:
- Positron annihilation spectroscopy is a powerful tool for probing material defects.
- Understanding positron lifetimes in solids is crucial for interpreting experimental results.
- Theoretical models are needed to complement experimental data and predict material properties.
Purpose of the Study:
- To systematically calculate theoretical positron lifetimes for elements in the periodic table.
- To investigate the influence of electronic structure calculations and positron enhancement factors on lifetime predictions.
- To analyze the impact of d and f electrons on positron lifetimes.
Main Methods:
- Utilized self-consistent and non-self-consistent schemes for electronic structure calculations.
- Employed various parametrizations for positron enhancement factors and correlation energy.
- Systematically computed positron lifetimes for a wide range of elements.
Main Results:
- Calculated positron lifetimes exhibit clear periodic behavior with atomic number.
- Monovacancy lifetimes were found to follow the same periodic trend.
- Comparison with experimental data confirmed the accuracy of the theoretical trends.
- The effects of different enhancement factors and the role of d and f electrons were analyzed.
Conclusions:
- Theoretical positron lifetime calculations are reliable for predicting material properties.
- The periodic behavior of positron lifetimes is a fundamental characteristic across elements.
- The study provides valuable data for interpreting positron annihilation experiments and understanding electronic structure.
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