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Volumn 70, Issue 4, 2004, Pages

Ab initio and semiempirical dielectric response of superlattices

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION SPECTROPHOTOMETRY; ARTICLE; CRYSTAL STRUCTURE; DENSITY GRADIENT CENTRIFUGATION; DIELECTRIC CONSTANT; ELECTROCHEMISTRY; EMPIRICISM; EXCITATION; ION EXCHANGE; MATHEMATICAL COMPUTING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MECHANICS; MOLECULAR MODEL; OPTICS; REACTION ANALYSIS; SPECTRAL SENSITIVITY; TECHNIQUE;

EID: 42749102502     PISSN: 01631829     EISSN: None     Source Type: Journal    
DOI: 10.1103/PhysRevB.70.045301     Document Type: Article
Times cited : (28)

References (58)
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    • M. G. Cottam and D. R. Tilley, in Introduction to Surface and Superlattice Excitations, Proceedings of the International School of Physics "Enrico Fermi," Course XXXIV, edited by J. Tauc (Cambridge University Press, Cambridge, England, 1989), p. 267.
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  • 18
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    • (1996) Phys. Rev. B , vol.53 , pp. 7949
    • Wood, D.M.1    Zunger, A.2
  • 19
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    • See, e.g., D. M. Wood and A. Zunger, Phys. Rev. B 53, 7949 (1996); A. Franceschetti and A. Zunger, ibid. 52, 14664 (1995).
    • (1995) Phys. Rev. B , vol.52 , pp. 14664
    • Franceschetti, A.1    Zunger, A.2
  • 30
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    • See, e.g., D. M. Bylander and L. Kleinman, Phys. Rev. B 34, 5280 (1986); D. M. Wood, S.-H. Wei, and A. Zunger, ibid. 37, 1342 (1988); B. I. Min, S. Massidda, and A. J. Freeman, ibid. 38, 1970 (1988); S. Baroni, P. Giannozzi, and E. Molinari, ibid. 41, 3870 (1990).
    • (1986) Phys. Rev. B , vol.34 , pp. 5280
    • Bylander, D.M.1    Kleinman, L.2
  • 31
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    • See, e.g., D. M. Bylander and L. Kleinman, Phys. Rev. B 34, 5280 (1986); D. M. Wood, S.-H. Wei, and A. Zunger, ibid. 37, 1342 (1988); B. I. Min, S. Massidda, and A. J. Freeman, ibid. 38, 1970 (1988); S. Baroni, P. Giannozzi, and E. Molinari, ibid. 41, 3870 (1990).
    • (1988) Phys. Rev. B , vol.37 , pp. 1342
    • Wood, D.M.1    Wei, S.-H.2    Zunger, A.3
  • 32
    • 0040393880 scopus 로고
    • See, e.g., D. M. Bylander and L. Kleinman, Phys. Rev. B 34, 5280 (1986); D. M. Wood, S.-H. Wei, and A. Zunger, ibid. 37, 1342 (1988); B. I. Min, S. Massidda, and A. J. Freeman, ibid. 38, 1970 (1988); S. Baroni, P. Giannozzi, and E. Molinari, ibid. 41, 3870 (1990).
    • (1988) Phys. Rev. B , vol.38 , pp. 1970
    • Min, B.I.1    Massidda, S.2    Freeman, A.J.3
  • 33
    • 33744595575 scopus 로고
    • See, e.g., D. M. Bylander and L. Kleinman, Phys. Rev. B 34, 5280 (1986); D. M. Wood, S.-H. Wei, and A. Zunger, ibid. 37, 1342 (1988); B. I. Min, S. Massidda, and A. J. Freeman, ibid. 38, 1970 (1988); S. Baroni, P. Giannozzi, and E. Molinari, ibid. 41, 3870 (1990).
    • (1990) Phys. Rev. B , vol.41 , pp. 3870
    • Baroni, S.1    Giannozzi, P.2    Molinari, E.3
  • 39
    • 0001666291 scopus 로고
    • and references therein
    • S. Baroni and R. Resta, Phys. Rev. B 33, 7017 (1986), and references therein.
    • (1986) Phys. Rev. B , vol.33 , pp. 7017
    • Baroni, S.1    Resta, R.2
  • 41
    • 0003395029 scopus 로고
    • edited by K. H. Hellwege, Landolt-Börnstein, New Series, Group III, (Springer-Verlag, Berlin)
    • Numerical Data and Functional Relationships in Science and Technology, edited by K. H. Hellwege, Landolt-Börnstein, New Series, Group III, Vol. 17 (Springer-Verlag, Berlin, 1982).
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  • 44
    • 33646643839 scopus 로고    scopus 로고
    • note
    • It must be remarked that here the definition of "heavy hole" and "light hole" bands is not the most usual one. In fact, if spin-orbit interaction is included, the two upper valence bands are no longer degenerate except at Γ and they are designated as "heavy hole" and "light hole," while the lower single band is called "split off."
  • 53
    • 33646653192 scopus 로고    scopus 로고
    • note
    • We want to point out that when we applied this LRC (or equivalently contact exciton) model to study the effect of quasiparticle corrections and excitonic effects on the static birefringence Ref. 25, we did not use these value for α∥ and α⊥. In fact, as explained in Ref. 24, a constant a can work only for a finite range of frequencies. The values of a that correct the static dielectric constants are systematically smaller than the values of α that reproduce the absorption peaks (for the GaAs/AlAs SL about 10 times smaller). Moreover, when we are interested in the birefringence, the slight difference between in-plane α± and in-growth α∥ can be relevant and affect the anisotropy of the dielectric response. Therefore, in that case we used two independent parameters, fitted to reproduce the experimental dielectric mismatch.
  • 56
    • 33646644811 scopus 로고    scopus 로고
    • note
    • As we will discuss later, this is not sufficient to explain why the in-growth component remains close to its effective medium value; in fact the contributions due to the delocalization of the wave functions at the interface must also be considered.
  • 58
    • 33646662151 scopus 로고    scopus 로고
    • http://theory.lsi.polytechnique.fr/codes/


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