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

doi:10.1063/1.1383282

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

^*Corresponding author for this work

Physics and Astronomy

Research output: Contribution to journal › Article › peer-review

93 Scopus citations

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 language	English (US)
Pages (from-to)	368-370
Number of pages	3
Journal	Applied Physics Letters
Volume	79
Issue number	3
DOIs	https://doi.org/10.1063/1.1383282
State	Published - Jul 16 2001

ASJC Scopus subject areas

Physics and Astronomy (miscellaneous)

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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.",

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AU - Continenza, Alessandra

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AU - Mannstadt, Wolfgang

AU - Freeman, Arthur J

AU - Wimmer, Erich

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