Band offset determination of the GaAs/GaAsN interface using the density functional theory method

The GaAs/GaAsN interface band offset is calculated from first principles. The electrostatic potential at the core regions of the atoms is used to estimate the interface potential and align the band structures obtained from respective bulk calculations. First, it is shown that the present method perf...

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Veröffentlicht in:	Journal of physics. Condensed matter 2008-08, Vol.20 (31), p.315004-315004 (8)
Hauptverfasser:	Komsa, H-P, Arola, E, Larkins, E, Rantala, T T
Format:	Artikel
Sprache:	eng
Schlagworte:	Condensed matter: electronic structure, electrical, magnetic, and optical properties Electron states and collective excitations in thin films, multilayers, quantum wells, mesoscopic and nanoscale systems Electronic structure and electrical properties of surfaces, interfaces, thin films and low-dimensional structures Exact sciences and technology Physics Superlattices
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