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Positron lifetime calculations for some elements on the base of the GGAPHNC approximation

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Języki publikacji
EN
Abstrakty
EN
In studies of several interesting materials by positron annihilation technique the theoretical values of positron lifetimes in bulk and defected elements are useful. These lifetimes are often calculated within the GGA approximation. In this approximation the results of Arponen and Pajanne calculations for the positron in an electron gas are used. It is known, however, that when using the LDA approximation for the calculations of positron lifetime in real metals, Arponen and Pajanne values yield worse agreement with experimental data than the results obtained on the basis of PHNC formalism. Therefore, in this paper the appropriate PHNC formulas are incorporated into the GGA approximation and the calculations have been performed for some metals: bulk as well as containing monovacancies. The comparison of the lifetimes found in this way to the ones based on the previous method is promising for the applicability of the new algorithm.
Słowa kluczowe
Czasopismo
Rocznik
Strony
9--12
Opis fizyczny
Bibliogr. 12 poz., tab.
Twórcy
autor
  • Institute of Physics, Opole University, 48 Oleska Str., 45-052 Opole, Poland, Tel.: +48 77 452 7250, Fax: +48 77 452 7290, E.Boronski@uni.opole.pl
Bibliografia
  • 1. Arponen J, Pajanne E (1979) Electron liquid in collective description. III. Positron annihilation. Ann Phys 21:343–389
  • 2. Barbiellini B, Puska MJ, Torsti T, Nieminen RM (1995) Gradient correction for positron states in solids. Phys Rev B 51:7341–7344
  • 3. Boroński E, Nieminen RM (1986) Electron-positron density functional theory. Phys Rev B 34:3820–3831
  • 4. Boroński E, Stachowiak H (1998) Positron-electron correlation energy in an electron gas according to the perturbed-hypernetted-chain approximation. Phys Rev B 57:6215–6218
  • 5. Campillo Robles JM, Ogando E, Plazaola F (2007) Positron lifetime calculation for the elements of the periodic table. J Phys: Condens Matter 19:176222-1-19
  • 6. Jensen KO, Walker AB (1988) Non-local positron-electron density functional theory and the positron surface state. J Phys F 18:L277–L285
  • 7. Perdew JP (1991) Unified theory of exchange and correlation beyond the local density approximation. In: Ziesche P, Eschrig H (eds) Electronic structure of solids’91. Academie-Verlag, Berlin, p 11
  • 8. Puska MJ, Nieminen RM (1983) Defect spectroscopy with positrons: a general calculational method. J Phys F 13:333–346
  • 9. Rubaszek A, Szotek Z, Temmerman WM (1998) Non--local electron-positron correlations in solids within the weighted density approximation. Phys Rev B 58:11285–11302
  • 10. Stachowiak H (1990) Electron-positron interaction in jellium. Phys Rev B 41:12522–12535
  • 11. Stachowiak H, Boroński E (2001) Screening of a positron in an inhomogeneous electron gas. Phys Rev B 64:195116--1-14
  • 12. Stachowiak H, Lach J (1993) Positron annihilation characteristics in an electron gas from low to high densities. Phys Rev B 48:9828–9830
Typ dokumentu
Bibliografia
Identyfikator YADDA
bwmeta1.element.baztech-article-BUJ7-0014-0002
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