First-principles calculation of positron annihilation characteristics in solids: From positron to positronium

Z. Tang, M. Hasegawa, Y. Nagai, M. Saito

Research output: Chapter in Book/Report/Conference proceedingConference contribution

1 Citation (Scopus)

Abstract

Two schemes to perform first-principles calculations of positron annihilation characteristics in solids are outlined. The schemes are based on two-component density functional theory and use pseudopotential plane waves and full potential linearized augmented plane waves, respectively. To demonstrate the agreement between theory and experiment, a case study of positron annihilation in fee and bcc Cu is presented and the calculated positron lifetime, two-dimensional angular correlation of annihilation radiation (2D-ACAR) distribution, and coincidence Doppler broadening (CDB) are compared with our experiments. It is also described that the positronium in solids can be modeled from the first principles starting from the positronic and electronic structures of the density functional theory.

Original languageEnglish
Title of host publicationPositron Annihilation
Subtitle of host publicationProceedings of the 13th International Conference on Positron Annihilation, ICPA-13
EditorsToshio Hyodo, Haruo Saito, Yoshinori Kobayashi, Yasuyuki Nagashima
PublisherTrans Tech Publications Ltd
Pages390-394
Number of pages5
ISBN (Print)9780878499366
DOIs
Publication statusPublished - 2004
EventPositron Annihilation: Proceedings of the 13th International Conference on Positron Annihilation, ICPA-13 - Kyoto, Japan
Duration: 2003 Sep 72003 Sep 12

Publication series

NameMaterials Science Forum
Volume445-446
ISSN (Print)0255-5476
ISSN (Electronic)1662-9752

Other

OtherPositron Annihilation: Proceedings of the 13th International Conference on Positron Annihilation, ICPA-13
CountryJapan
CityKyoto
Period03/9/703/9/12

Keywords

  • Defects
  • Electronic Structure
  • First-Principles Calculation
  • Momentum Density Distribution
  • Positron Lifetime
  • Positronium

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering

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