Interfacial strain-dependent localization of phonons in (CdS)m/(CdTe)n superlattices

Talwar, Devki N.; Becla, P.

doi:10.1016/j.physb.2022.414500

Cited by 5 publications

(26 citation statements)

References 29 publications

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“…Two different theoretical schemes are frequently employed for assessing the structural, phonon and electronic traits of the perfect/imperfect materials: (a) microscopic methods [19][20][21]79], which start with ionic potentials screened by electron gas for determining the optical, electronic and phonon properties, and (b) macroscopic techniques [69][70][71][72][73][74][75][76], which employ phenomenological models for attaining the lattice dynamics of perfect materials as well as impurity-induced vibrational characteristics. In the former methods, the interatomic forces of perfect/imperfect materials are normally evaluated using selfconsistent density functional theory (SC-DFT) for comprehending the structural, optical, and phonon properties by employing commercially available ABINIT software V9.10.…”

Section: Theoretical Sectionmentioning

confidence: 99%

“…In Section 3.5, we briefly outline the theory of a realistic RIM to study the lattice dynamics of perfect zb InAs and InN. An ATM-GF [73][74][75][76] approach requiring appropriate perturbation models for isolated defects is adopted for simulating the impurity vibrational modes of Si + III donors and Si − V , Mg − III and C − V acceptors in InAs and InN [53][54][55][56][57]. The calculated results are discussed and compared/contrasted against the existing FTIR and RSS (Section 4) data.…”

Section: Theoretical Sectionmentioning

confidence: 99%

“…To comprehend the lattice dynamical traits of perfect bulk InAs and InN materials, we have adopted a realistic RIM [77]. The vibrational properties of isolated donor and acceptor defects in InAs and InN are studied by using the ATM-GF theory [73][74][75][76]. The significance of these two methodologies has been discussed in several review articles and monographs [69][70][71][72][73][74][75][76].…”

Section: Lattice Dynamics Of Perfect/imperfect Inas and Innmentioning

confidence: 99%

“…The vibrational properties of isolated donor and acceptor defects in InAs and InN are studied by using the ATM-GF theory [73][74][75][76]. The significance of these two methodologies has been discussed in several review articles and monographs [69][70][71][72][73][74][75][76]. Hence, the discussion (Section 4.4) of presenting our results on the impurity vibrational modes for both isolated Si +…”

Section: Lattice Dynamics Of Perfect/imperfect Inas and Innmentioning

confidence: 99%

“…For IRR simulations, the standard deviations χ (≡≤5 × 10 −3 ) were attained for accurately obtaining the necessary phonon mode parameters of each sample. Appropriate dielectric dispersions were meticulously determined by invoking Kramers-Krönig analyses to attain frequency-dependent [69][70][71][72][73][74][75][76] complex dielectric functions ∼ ε(ω) and refractive indices ∼ n(ω). A two-phonon mode behavior is expected in the InAs 1−x N x alloy epifilms where the effects of the InP substrate cannot be ignored.…”

Section: Introductionmentioning

confidence: 99%

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Phonon Characteristics of Gas-Source Molecular Beam Epitaxy-Grown InAs1−xNx/InP (001) with Identification of Si, Mg and C Impurities in InAs and InN

Talwar,

Yang,

Lin

2023

Crystals

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The lattice dynamical properties of dilute InAs1−xNx/InP (001) epilayers (0 ≤ x ≤ 0.03) grown by gas-source molecular beam epitaxy were carefully studied experimentally and theoretically. A high-resolution Brüker IFS 120 v/S spectrometer was employed to measure the room-temperature infrared reflectivity (IRR) spectra at near-normal incidence (θi = 0). The results in the frequency range of 180–500 cm−1 revealed accurate values of the characteristic In-As-like and In-N-like vibrational modes. For InAs1−xNx alloys, a classical “Drude–Lorentz” model was constructed to obtain the dielectric functions ε~ω in the far IR regions by incorporating InAs-like and InN-like transverse optical ωTO modes. Longitudinal optical ωLO phonons were achieved from the imaginary parts of the simulated dielectric loss functions. The theoretical results of IRR spectra for InAs1−xNx/InP (001) epilayers using a multi-layer optics methodology provided a very good agreement with the experimental data. At oblique incidence (θi ≠ 0), our study of s- and p-polarized reflectance (Rs,p(ω)) and transmission (Ts,p(ω)) spectra allowed the simultaneous perception of the ωTO and ωLO phonons of the InAs, InN and InAs0.97N0.03 layers. Based on the average t-matrix Green’s function theory, the results of local vibrational modes for light SiIn+ donors and SiAs−, CAs− acceptors in InAs were found in good agreement with the existing Raman scattering and infrared spectroscopy data. InInN, however, the method predicted an in-band mode for the MgIn− acceptor while projecting an impurity mode of the SiIn+ donor to appear just above the maximum ωmaxInN[≡595 cm−1] phonon frequency region. In InAs1−xNx/InP (001) epifilms, the comparison of reflectivity/transmission spectra with experiments and the predictions of impurity modes for isoelectronic donor and acceptor impurities in InAs and InN can be valuable for appraising the role of defects in other technologically important semiconductors.

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