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Volumn 78, Issue 15, 2008, Pages

Excitation energy and pair correlation function of trions near an LiF surface

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EID: 55349094711     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.78.155432     Document Type: Article
Times cited : (3)

References (39)
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    • Most importantly, correlations due to long-range polarization of the environment are missing. This limitation is inherent to the finite cluster approach. However, since our excitation energies of excitons/trions are calculated as total-energy differences between the ground and excited states of the neutral/singly charged cluster, respectively, the main part of this error will cancel out. The error for the calculated binding energies-where we compare with the total energy of the singly/doubly charged cluster, respectively-may be larger.
    • Most importantly, correlations due to long-range polarization of the environment are missing. This limitation is inherent to the finite cluster approach. However, since our excitation energies of excitons/trions are calculated as total-energy differences between the ground and excited states of the neutral/singly charged cluster, respectively, the main part of this error will cancel out. The error for the calculated binding energies-where we compare with the total energy of the singly/doubly charged cluster, respectively-may be larger.
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    • The band-dispersion of LiF is calculated within density-functional theory in the local density approximation, using the code ABINIT (Ref.). We note that many-body corrections will lead to a considerably larger band gap (Ref.), which is, however, of no concern for the effective masses.
    • The band-dispersion of LiF is calculated within density-functional theory in the local density approximation, using the code ABINIT (Ref.). We note that many-body corrections will lead to a considerably larger band gap (Ref.), which is, however, of no concern for the effective masses.
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