Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions

Nacir Tit; Maria Peressi; Stefano Baroni

doi:10.1103/PhysRevB.48.17607

Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions

Nacir Tit, Maria Peressi, Stefano Baroni

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

42 Citations (Scopus)

Abstract

We present a self-consistent pseudopotential calculation of the valence-band offset at the GaAs/InAs (001) strained interface which is chosen as an example of isovalent, common-anion, lattice-mismatched heterojunctions. Our results show that the valence-band offset can be tuned by about 0.5 eV going from GaAs to InAs substrates, mainly due to the different effect of strain on the topmost valence-band state of the two bulk materials.

Original language	English
Pages (from-to)	17607-17610
Number of pages	4
Journal	Physical Review B
Volume	48
Issue number	23
DOIs	https://doi.org/10.1103/PhysRevB.48.17607
Publication status	Published - 1993
Externally published	Yes

ASJC Scopus subject areas

Condensed Matter Physics

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10.1103/PhysRevB.48.17607

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title = "Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions",

abstract = "We present a self-consistent pseudopotential calculation of the valence-band offset at the GaAs/InAs (001) strained interface which is chosen as an example of isovalent, common-anion, lattice-mismatched heterojunctions. Our results show that the valence-band offset can be tuned by about 0.5 eV going from GaAs to InAs substrates, mainly due to the different effect of strain on the topmost valence-band state of the two bulk materials.",

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T1 - Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions

AU - Tit, Nacir

AU - Peressi, Maria

AU - Baroni, Stefano

PY - 1993

Y1 - 1993

N2 - We present a self-consistent pseudopotential calculation of the valence-band offset at the GaAs/InAs (001) strained interface which is chosen as an example of isovalent, common-anion, lattice-mismatched heterojunctions. Our results show that the valence-band offset can be tuned by about 0.5 eV going from GaAs to InAs substrates, mainly due to the different effect of strain on the topmost valence-band state of the two bulk materials.

AB - We present a self-consistent pseudopotential calculation of the valence-band offset at the GaAs/InAs (001) strained interface which is chosen as an example of isovalent, common-anion, lattice-mismatched heterojunctions. Our results show that the valence-band offset can be tuned by about 0.5 eV going from GaAs to InAs substrates, mainly due to the different effect of strain on the topmost valence-band state of the two bulk materials.

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Ab initio calculation of the band offset at strained GaAs/InAs (001) heterojunctions

Abstract

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