Two-Component Density Functional Study of Positron-Vacancy Interaction in Metals and Semiconductors

• Authors: S. Ishibashi
• Languages of publication: EN

Abstracts

EN

The positron-vacancy interaction in metals and semiconductors has been studied by the two-component density-functional-theory formalism. If a positron is not trapped at the vacancy, atoms surrounding the vacancy show inward relaxation for most cases except for nitrides, where outward relaxation is observed. The presence of positron suppresses the inward relaxation. Positron lifetimes have been calculated with and without the positron effect. The difference between two lifetime values is investigated in relation to the bulk modulus.

Keywords

EN

71.60.+z; 78.70.Bj; 61.72.jd

Discipline

• 71.60.+z: Positron states(for positron annihilation, see 78.70.Bj)
• 61.72.jd: Vacancies
• 78.70.Bj: Positron annihilation(for positron states, see 71.60.+z in electronic structure of bulk materials; for positronium chemistry, see 82.30.Gg in physical chemistry and chemical physics)

• Publisher: Institute of Physics, Polish Academy of Sciences
• Journal: Acta Physica Polonica A
• Year: 2017
• Volume: 132
• Issue: 5
• Pages: 1602-1605

Dates

published

2017-11

Contributors

author

S. Ishibashi

• Research Center for Computational Design of Advanced Functional Materials (CD-FMat), AIST, 1-1-1 Umezono, Tsukuba, Ibaraki 305-8568, Japan

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Identifiers

DOI

10.12693/APhysPolA.132.1602