Imposing changes of band and spin-orbit gaps in GaNBi

A. Belabbes; A. Zaoui; Slimane Laref; M. Ferhat

doi:10.1016/j.ssc.2012.04.071

Imposing changes of band and spin-orbit gaps in GaNBi

A. Belabbes, A. Zaoui^*, Slimane Laref, M. Ferhat

^*Corresponding author for this work

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

15 Scopus citations

Abstract

We present first-principles pseudopotential plane-wave calculations to explore the effects of alloying of non conventional III-V compound GaN with bismuth. We found a highly nonlinear reduction of the energy gap of GaN for small Bi composition. Consequently the optical band gap bowing is found extremely important and composition dependent. The stronger contribution is due principally to structural and, to less extent, to charge transfer effects. Moreover, because of strong relativistic effects caused by bismuth, we found a giant bowing for the spin-orbit splitting energy of valence band, by far the largest of any III-V ternary alloys.

Original language	English (US)
Pages (from-to)	1700-1702
Number of pages	3
Journal	Solid State Communications
Volume	152
Issue number	17
DOIs	https://doi.org/10.1016/j.ssc.2012.04.071
State	Published - Sep 2012
Externally published	Yes

Keywords

A. GaNBi
A. Optical band-gap
D. Density functional theory

ASJC Scopus subject areas

General Chemistry
Condensed Matter Physics
Materials Chemistry

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10.1016/j.ssc.2012.04.071

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title = "Imposing changes of band and spin-orbit gaps in GaNBi",

abstract = "We present first-principles pseudopotential plane-wave calculations to explore the effects of alloying of non conventional III-V compound GaN with bismuth. We found a highly nonlinear reduction of the energy gap of GaN for small Bi composition. Consequently the optical band gap bowing is found extremely important and composition dependent. The stronger contribution is due principally to structural and, to less extent, to charge transfer effects. Moreover, because of strong relativistic effects caused by bismuth, we found a giant bowing for the spin-orbit splitting energy of valence band, by far the largest of any III-V ternary alloys.",

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author = "A. Belabbes and A. Zaoui and Slimane Laref and M. Ferhat",

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T1 - Imposing changes of band and spin-orbit gaps in GaNBi

AU - Belabbes, A.

AU - Zaoui, A.

AU - Laref, Slimane

AU - Ferhat, M.

PY - 2012/9

Y1 - 2012/9

N2 - We present first-principles pseudopotential plane-wave calculations to explore the effects of alloying of non conventional III-V compound GaN with bismuth. We found a highly nonlinear reduction of the energy gap of GaN for small Bi composition. Consequently the optical band gap bowing is found extremely important and composition dependent. The stronger contribution is due principally to structural and, to less extent, to charge transfer effects. Moreover, because of strong relativistic effects caused by bismuth, we found a giant bowing for the spin-orbit splitting energy of valence band, by far the largest of any III-V ternary alloys.

AB - We present first-principles pseudopotential plane-wave calculations to explore the effects of alloying of non conventional III-V compound GaN with bismuth. We found a highly nonlinear reduction of the energy gap of GaN for small Bi composition. Consequently the optical band gap bowing is found extremely important and composition dependent. The stronger contribution is due principally to structural and, to less extent, to charge transfer effects. Moreover, because of strong relativistic effects caused by bismuth, we found a giant bowing for the spin-orbit splitting energy of valence band, by far the largest of any III-V ternary alloys.

KW - A. GaNBi

KW - A. Optical band-gap

KW - D. Density functional theory

UR - http://www.scopus.com/inward/record.url?scp=84864422011&partnerID=8YFLogxK

U2 - 10.1016/j.ssc.2012.04.071

DO - 10.1016/j.ssc.2012.04.071

M3 - Article

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SN - 0038-1098

VL - 152

SP - 1700

EP - 1702

JO - Solid State Communications

JF - Solid State Communications

IS - 17

ER -

Imposing changes of band and spin-orbit gaps in GaNBi

Abstract

Keywords

ASJC Scopus subject areas

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