Assessing the Preferential Chemical Bonding of Nitrogen in Novel Dilute III–As–N Alloys

Talwar, Devki N.

doi:10.1007/978-3-540-74529-7_9

Cited by 8 publications

(30 citation statements)

References 62 publications

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“…Those OTE values are significantly smaller than the corresponding OTE values of In 10 As 4 molecules [65,75] lying in the range from about 2.3 eV to about 3 eV. These theoretical results are in a very good agreement with experimental observations demonstrating that the fundamental band gap of InAsN nanostructures and bulk lattices decreases with an increase in their nitrogen content [56][57][58][76][77][78][79][80]. At the same time, CI/CASSCF/MCSCF OTE below 1 eV of the vacuum In 10 As 3 N molecule indicates that such a tendency may not necessarily hold for all nitrogen-containing small InAs molecules.…”

Section: Discussionsupporting

confidence: 88%

“…This result also is indirectly confirmed by a decrease in OTE of the fcc-derived In-N and In-As-N molecules with increasing nitrogen content. The obtained theoretical values of HF and CI/CASSCF/MCSCF OTEs of the studied indium nitride molecules are smaller than those of the corresponding fccderived In-As and In-As-P molecules, which is in excellent agreement with the corresponding experimental data [56][57][58][76][77][78][79][80]. Indeed, it was established experimentally that in InAs-nitride nanostructures and alloys synthesized using MBE methods a real band gap energy shifts to the red with increasing nitrogen content.…”

Section: Discussionsupporting

confidence: 56%

See 1 more Smart Citation

Quantum Dots of Indium Nitrides

Pozhar¹

2015

Virtual Synthesis of Nanosystems by Design

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Section: Discussionsupporting

confidence: 88%

Section: Discussionsupporting

confidence: 56%

Quantum Dots of Indium Nitrides

Pozhar¹

2015

Virtual Synthesis of Nanosystems by Design

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“…This frequency is close to the value of 443 cm −1 of the nitrogen mode in InAs. It has been found theoretically and experimentally that in as-grown In-rich low Ga-content dilute InGaAsN alloys a complete change from pure In-N bonding (N As In 4 ) to the preferential bonding in N-centred In 3 Ga 1 clusters occurs [28,29]. On the other hand for Ga-rich InGaAsN samples grown by MBE and MOCVD additional LVM bands between 472 and 443 cm −1 have been observed after annealing [30][31][32][33].…”

Section: Raman Spectroscopymentioning

confidence: 97%

Experimental study of the effect of local atomic ordering on the energy band gap of melt grown InGaAsN alloys

Milanova

Kostov

Alonso‐Álvarez

et al. 2017

Semicond. Sci. Technol.

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We present a study of melt grown dilute nitride InGaAsN layers by x-ray photoelectron spectroscopy (XPS), Raman and photoluminescence (PL) spectroscopy. The purpose of the study is to determine the degree of atomic ordering in the quaternary alloy during the epitaxial growth at near thermodynamic equilibrium conditions and its influence on band gap formation. Despite the low In concentration (∼3%) the XPS data show a strong preference toward In-N bonding configuration in the InGaAsN samples. Raman spectra reveal that most of the N atoms are bonded to In instead of Ga atoms and the formation of N-centred In 3 Ga 1 clusters. PL measurements reveal smaller optical band gap bowing as compared to the theoretical predictions for random alloy and localised tail states near the conduction band minimum.

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“…We have reported our results of the systematic experimental and theoretical studies to comprehend the lattice dynamical, structural, and optical properties (Sections 4.1 and 4.2) of both the binary InP, InSb and ternary InP 1−x Sb x alloy [53][54][55][56][57][58][59] semiconductors. The outcomes of our findings on phonons and electronic characteristics are in reasonably good agreement with the experimental data.…”

Section: Resultsmentioning

confidence: 99%

“…We strongly feel that the low-intensity InSb-like ω TO band as well as the gap mode of InP:Sb near x → 0 are either buried in the vicinity of disordered optical bands and/or falling in the region where the density of phonon states is high [24][25][26][27]. In Section 4.1.2, we will address this issue theoretically by calculating the gap mode of Sb in InP and LVM of P in InSb using a realistic lattice dynamical model in the ATM-GF framework [59].…”

Section: Raman Scatteringmentioning

confidence: 99%

Systematic Assessment of Phonon and Optical Characteristics for Gas-Source Molecular Beam Epitaxy-Grown InP1−xSbx/n-InAs Epifilms

Talwar,

Lin

2023

Crystals

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Experimental and theoretical assessments of phonon and optical characteristics are methodically accomplished for comprehending the vibrational, structural, and electronic behavior of InP1−xSbx/n-InAs samples grown by Gas-Source Molecular Beam Epitaxy. While the polarization-dependent Raman scattering measurements revealed InP-like doublet covering optical modes (ωLOInP~350 cm−1, ωTOInP~304 cm−1) and phonons activated by disorders and impurities, a single unresolved InSb-like broadband is detected near ~195 cm−1. In InP1−xSbx, although no local vibrational (InSb:P; x → 1) and gap modes (InP:Sb; x → 0) are observed, the Raman line shapes exhibited large separation between the optical phonons of its binary counterparts, showing features similar to the phonon density of states, confirming “two-mode-behavior”. Despite the earlier suggestions of large miscibility gaps in InP1−xSbx epilayers for x between 0.02 and 0.97, our photoluminescence (PL) results of energy gaps insinuated achieving high-quality single-phase epilayers with x ~ 0.3 in the miscibility gap. Complete sets of model dielectric functions (MDFs) are obtained for simulating the optical constants of binary InP, InSb, and ternary InP1−xSbx alloys in the photon energy (0 ≤ E ≤ 6 eV) region. Detailed MDF analyses of refractive indices, extinction coefficients, absorption and reflectance spectra have exhibited results in good agreement with the spectroscopic ellipsometry data. For InP0.67Sb0.33 alloy, our calculated lowest energy bandgap E0 ~ 0.46 eV has validated the existing first-principles calculation and PL data. We feel that our results on Raman scattering, PL measurements, and simulations of optical constants provide valuable information for the vibrational and optical traits of InP1−xSbx/n-InAs epilayers and can be extended to many other technologically important materials.

show abstract

Assessing the Preferential Chemical Bonding of Nitrogen in Novel Dilute III–As–N Alloys

Cited by 8 publications

References 62 publications

Quantum Dots of Indium Nitrides

Quantum Dots of Indium Nitrides

Experimental study of the effect of local atomic ordering on the energy band gap of melt grown InGaAsN alloys

Systematic Assessment of Phonon and Optical Characteristics for Gas-Source Molecular Beam Epitaxy-Grown InP1−xSbx/n-InAs Epifilms

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