Electronic bands of III-V semiconductor polytypes and their alignment

Abderrezak Belabbes; Christian Panse; Jürgen Furthmüller; Friedhelm Bechstedt

doi:10.1103/PhysRevB.86.075208

Electronic bands of III-V semiconductor polytypes and their alignment

Abderrezak Belabbes^*, Christian Panse, Jürgen Furthmüller, Friedhelm Bechstedt

^*Corresponding author for this work

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

138 Scopus citations

Abstract

The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme, the LDA-1/2 method. The results are used to derive band offsets ΔE _c and ΔE _v for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy E _BP for each polytype. The aligned electronic structures are used to explain properties of heterocrystalline but homomaterial junctions. The gaps and offsets allow to discuss spectroscopic results obtained recently for such junctions in III-V nanowires.

Original language	English (US)
Article number	075208
Journal	Physical Review B - Condensed Matter and Materials Physics
Volume	86
Issue number	7
DOIs	https://doi.org/10.1103/PhysRevB.86.075208
State	Published - Aug 27 2012
Externally published	Yes

ASJC Scopus subject areas

Electronic, Optical and Magnetic Materials
Condensed Matter Physics

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10.1103/PhysRevB.86.075208

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title = "Electronic bands of III-V semiconductor polytypes and their alignment",

abstract = "The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme, the LDA-1/2 method. The results are used to derive band offsets ΔE c and ΔE v for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy E BP for each polytype. The aligned electronic structures are used to explain properties of heterocrystalline but homomaterial junctions. The gaps and offsets allow to discuss spectroscopic results obtained recently for such junctions in III-V nanowires.",

author = "Abderrezak Belabbes and Christian Panse and J{\"u}rgen Furthm{\"u}ller and Friedhelm Bechstedt",

year = "2012",

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T1 - Electronic bands of III-V semiconductor polytypes and their alignment

AU - Belabbes, Abderrezak

AU - Panse, Christian

AU - Furthmüller, Jürgen

AU - Bechstedt, Friedhelm

PY - 2012/8/27

Y1 - 2012/8/27

N2 - The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme, the LDA-1/2 method. The results are used to derive band offsets ΔE c and ΔE v for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy E BP for each polytype. The aligned electronic structures are used to explain properties of heterocrystalline but homomaterial junctions. The gaps and offsets allow to discuss spectroscopic results obtained recently for such junctions in III-V nanowires.

AB - The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme, the LDA-1/2 method. The results are used to derive band offsets ΔE c and ΔE v for the conduction and valence bands between two polytypes. The alignment of the band structures is based on the branch-point energy E BP for each polytype. The aligned electronic structures are used to explain properties of heterocrystalline but homomaterial junctions. The gaps and offsets allow to discuss spectroscopic results obtained recently for such junctions in III-V nanowires.

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DO - 10.1103/PhysRevB.86.075208

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VL - 86

JO - Physical Review B - Condensed Matter and Materials Physics

JF - Physical Review B - Condensed Matter and Materials Physics

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M1 - 075208

ER -

Electronic bands of III-V semiconductor polytypes and their alignment

Abstract

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