Ab initio calculation of (formula presented) including the electron-hole interaction: Application to gan and (formula presented)

Physical Review B - Condensed Matter and Materials Physics

Volumn 59, Issue 8, 1999, Pages 5441-5451

  Benedict, Lorin X ^a   Shirley, Eric L ^a  

^a NATIONAL INSTITUTE OF STANDARDS AND TECHNOLOGY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0000656146     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.59.5441     Document Type: Article

References (45)

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17. By “IR dielectric constant,” we mean (Formula presented) where (Formula presented) is much less than an electronic transition frequency, but much greater than a typical phonon frequency. This is often refered to as (Formula presented)
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33. For all calculations we use a (Formula presented) point shift, so that the (Formula presented) point (Formula presented) is shifted to (Formula presented) Such symmetry breaking is not problematic, because it becomes irrelevant when results are converged.
34. On close inspection, it is apparent that the peak positions in the theoretical results are slightly off from the measured positions. This may be related to the use of a simple (Formula presented)-independent shift and stretch of the LDA bands. Use of the full (Formula presented) band energies may lead to better agreement.
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44. Note that the value of (Formula presented) for (Formula presented) in the continuum (above the band gap) is sensitive to the choice of (Formula presented)
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