Computational band-structure engineering of III-V semiconductor alloys

Clint B. Geller, Walter Wolf, Silvia Picozzi, Alessandra Continenza, Ryoji Asahi, Wolfgang Mannstadt, Arthur J Freeman, Erich Wimmer

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Abstract

The calculations for energy-band structures and excitation energies of binary semiconductors using an all-electron screened exchange method were presented. The screen exchange method was implemented in full-potential linearized augmented plane-wave (FLAPW) method. Screen exchange method showed better performance for calculating conduction-band effective masses. The sX-FLAPW method showed improved approach for the description of fundamental band gaps, effective masses and higher-lying states.

Original languageEnglish
Pages (from-to)368-370
Number of pages3
JournalApplied Physics Letters
Volume79
Issue number3
DOIs
Publication statusPublished - Jul 16 2001

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ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

Cite this

Geller, C. B., Wolf, W., Picozzi, S., Continenza, A., Asahi, R., Mannstadt, W., Freeman, A. J., & Wimmer, E. (2001). Computational band-structure engineering of III-V semiconductor alloys. Applied Physics Letters, 79(3), 368-370. https://doi.org/10.1063/1.1383282