Optical band gap of indium nitride

Tansley, T.L.; Foley, C. P.

doi:10.1063/1.336906

Cited by 615 publications

(326 citation statements)

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“…This feature also occurs in many nitride and oxide semiconductors, such as InN and ZnO. For example, the gap of InN was originally measured to be 2.0 eV for films deposited by sputtering and MOVPE, [19,20] however further investigation of MBE films established the true gap of InN as 0.7 to 0.8 eV [21]. The small direct band gap for some of these compounds suggests that they are not ideal candidates for p-type transparent conducting oxides.…”

Section: Crystal Structurementioning

confidence: 99%

First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)

Krishnapriyan

Barton

Miao

et al. 2014

J. Phys.: Condens. Matter

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Abstract. The electronic structures of four semiconductor compounds BaCu 2 S 2 , BaCu 2 Se 2 , BaAg 2 S 2 , and BaAg 2 Se 2 are studied by density functional theory using both semi-local and hybrid functionals. The ionization energies and electron affinities were determined by aligning the electronic states with the vacuum level by calculating the electrostatic profile within a supercell slab model. The ionization energy and electron affinity of the compounds were calculated using the Heyd-Scuseria-Ernzerhof (HSE) functionals and range from 4.5 to 5.4 eV and 3.1 to 3.4 eV, respectively. The replacement of Cu by Ag slightly increases the ionization energy and electron affinity, while the replacement of S by Se decreases the ionization energy but slightly increases the electron affinity. Overall, the low ionization energies and small electron affinities suggest that these compounds possess good p-type doping propensities. The band gaps are somewhat small to be ideal candidates for transparent semiconducting behavior. The replacement of Cu with Ag in the barium sulfide compounds can increase the band gap from 1.62 eV to 2.01 eV.

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Section: Crystal Structurementioning

confidence: 99%

First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)

Krishnapriyan

Barton

Miao

et al. 2014

J. Phys.: Condens. Matter

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“…Among the group-III nitrides, InN requires perhaps the most important revisions because its band gap is now accepted 16,17 to be 0.7 eV while it was long believed to be about 1.89 eV. 18 Rinke et al 13 used G 0 W 0 quasiparticle band structures starting from optimized effective potential exact exchange + LDA correlation, but focused on the fit only very near the Γ-point. de Carvalho et al 15 use G 0 W 0 starting from hybrid functional HSE calculations.…”

Section: Introductionmentioning

confidence: 99%

Valence band effective-mass Hamiltonians for the group-III nitrides from quasiparticle self-consistentGWband structures

Punya

Lambrecht

2012

Phys. Rev. B

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We present band gaps, electron effective masses and valence band effective mass Hamiltonian parameters as well as strain deformation potentials of the crystal field splittings for AlN, GaN and InN obtained from quasiparticle self-consisent GW calculations. Excellent agreement is obtained with experimental data for the crystal field and spin-orbit coupling splittings of bulk AlN and GaN. For InN, the discrepancy on the crystal field splitting is likely due to the residual strain in InN thin films from which that experimental value was extracted. We obtain a negative spinorbit splitting for InN, which is plausible in view of the stronger negative contribution of In-4d in InN than Ga-3d in GaN. The inverse effective mass parameters Ai agree well with previous G0W0 calculations except for A6. We find that the A6 parameter describing the band dispersion in directions intermediate between in-and perpendicular to the basal plane is not well described by the quasicubic approximation. Good agreement with the most reliable experimental data is obtained for hole effective mass parameters in AlN and GaN, extracted from exciton binding energies and their fine structure. For InN and GaN, the spin-splittings of the bands in the plane due to spin-orbit coupling requires the inclusion of linear in k and spin terms.

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“…Early optical absorption studies [1] on sputtered InN films with relatively high electron concentrations (>10 19 /cm 3 ) and low mobilities (<100 cm 2 /V⋅s) were used to derive a fundamental bandgap of ~1.9 eV. For over a decade it had been accepted that the band gap of InN was 1.9 eV.…”

mentioning

confidence: 99%

On the crystalline structure, stoichiometry and band gap of InN thin films

Liliental‐Weber

Walukiewicz

et al. 2005

Applied Physics Letters

108

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Detailed transmission electron microscopy (TEM), x-ray diffraction (XRD), and optical characterization of a variety of InN thin films grown by molecular beam epitaxy under both optimized and non-optimized conditions is reported. Optical characterization by absorption and photoluminescence confirms that the band gap of single crystalline and polycrystalline wurtzite InN is 0.70±0.05 eV. Films grown under optimized conditions with a AlN nucleation layer and a GaN buffer layer are stoichiometric, single crystalline wurtzite structure with dislocation densities not exceeding mid-10 10 cm -2 . Non-optimal films can be poly-crystalline and display an XRD diffraction feature at 2θ ≈ 33º; this feature has been attributed by others to the presence of metallic In clusters. Careful indexing of wide angle XRD scans and selected area diffraction patterns shows that this peak is in fact due to the presence of polycrystalline InN grains; no evidence of metallic In clusters was found in any of the studied samples.

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Optical band gap of indium nitride

Cited by 615 publications

References 15 publications

First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)

First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)

Valence band effective-mass Hamiltonians for the group-III nitrides from quasiparticle self-consistentGWband structures

On the crystalline structure, stoichiometry and band gap of InN thin films

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Optical band gap of indium nitride

Cited by 615 publications

References 15 publications

First-principles study of band alignments in the p-type hosts BaM2X2(M= Cu, Ag;X= S, Se)

First-principles study of band alignments in the p-type hosts BaM2X2(M= Cu, Ag;X= S, Se)

Valence band effective-mass Hamiltonians for the group-III nitrides from quasiparticle self-consistentGWband structures

On the crystalline structure, stoichiometry and band gap of InN thin films

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First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)

First-principles study of band alignments in the p-type hosts BaM₂X₂(M= Cu, Ag;X= S, Se)