Anisotropy of the dielectric function for wurtzite InN

Goldhahn, R.; Winzer, A. T.; Cimalla, V.; Ambacher, O.; Cobet, Christoph; Richter, Wolfgang; Esser, N.; Furthmüller, J.; Bechstedt, F.; Lu, Hai; Schaff, William J.

doi:10.1016/j.spmi.2004.09.016

Cited by 63 publications

(48 citation statements)

References 14 publications

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“…4b and Fig. 5) are summarized in Table X and are in good agreement with previous studies [9] and we see that the static dielectric constant of TlN is bigger than the other III-group nitrides [47][48][49]. The static refraction index (Eq.…”

Section: Table IXsupporting

confidence: 90%

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A Comparison of the~Structural, Electronic, Optical and Elastic Properties of Wurtzite, Zinc-Blende and Rock Salt TlN: A DFT Study

et al. 2016

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In this article we investigated structural, electronic, elastic, and optical properties of TlN in three phases, using full potential linear augmented plane wave method in the density functional theory frame with WIEN2k code. The calculations have been done in the generalized Perdew-Burke-Ernzerhof generalized gradient approximation, the generalized Wu-Cohen gradient approximation, the generalized Perdew-Burke-Ernzerhof solid gradient approximation, local density approximation, and the modified Becke-Johnson approximations. In spite of the absence of any experimental data for TlN, our results are compared with other results achieved by other different approximations which shows a good agreement with them. The band gap for TlN in wurtzite and zinc-blende are obtained to be 0.07 and 0.09 eV within modified Becke-Johnson-local density approximation+spin-orbit approximation, respectively. The structural properties such as phase transitions, equilibrium lattice parameters, bulk modulus and its first pressure derivative were obtained using an optimization method. Moreover, we calculated quantities such as elastic constants, the Young modulus, shear modulus, the Poisson ratio, and sound velocities for longitudinal and transverse waves, the Debye temperature and the Kleinman parameters in different approximations and we show that TlN is softer than other nitrides of the III-group. The static calculations predicted that wurtzite to rock salt and zinc-blende to rock salt phase transitions occur at 14.7 GPa and 15.8, respectively. The optical properties of TlN in three phases, calculated in generalized gradient approximation and local density approximation and imaginary part of dielectric function show that TlN in wurtzite and zinc-blende phases have semiconductor properties but rock salt phase do not show. As well as, we investigate the influence of the hydrostatic pressure on the elastic parameters and energy band structures for TlN (zinc-blende) within local density approximation.

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Section: Table IXsupporting

confidence: 90%

“…(27) and Fig. 6) of TlN in GGA (PBE) and LDA approximations are given in Table XI and we see that the refraction index of TlN is bigger than the other III-group nitrides [47][48][49]. …”

Section: Table IXmentioning

confidence: 83%

A Comparison of the~Structural, Electronic, Optical and Elastic Properties of Wurtzite, Zinc-Blende and Rock Salt TlN: A DFT Study

et al. 2016

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“…This model corroborates the results found by other authors for undoped or n-type conductive InN on different substrates. 17,29,41 To label the critical points, the nomenclature of Goldhahn et al 41 is used here. A M0-CP lineshape is utilized for the band gap (E 0 ) region.…”

Section: Resultsmentioning

confidence: 99%

“…For determination of this component, measurements on samples of semi-polar or non-polar orientation would be necessary. 29 Thus, the InN layer was assumed to be isotropic and an effective DF for InN is obtained for the NIR-VUV spectral range. The isotropic MDF of InN was obtained by using a set of the KramersKronig consistent Herzinger-Johs parameterized semiconductor oscillator models for critical point (CP) structures in crystalline semiconductor DF's (Psemi-CP model).…”

Section: A Nir-vuv Model Dielectric Functionmentioning

confidence: 99%

Infrared to vacuum-ultraviolet ellipsometry and optical Hall-effect study of free-charge carrier parameters in Mg-doped InN

Schöche

Hofmann

Darakchieva

et al. 2013

Journal of Applied Physics

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Correlations between the morphology and emission properties of trench defects in InGaN/GaN quantum wells J. Appl. Phys. 113, 073505 (2013) Optical characterization of free electron concentration in heteroepitaxial InN layers using Fourier transform infrared spectroscopy and a 2×2 transfer-matrix algebra J. Appl. Phys. 113, 073502 (2013) Influence of structural anisotropy to anisotropic electron mobility in a-plane InN Appl. Phys. Lett. 102, 061904 (2013) Temperature dependent carrier dynamics in telecommunication band InAs quantum dots and dashes grown on InP substrates J. Appl. Phys. 113, 033506 (2013) Sub-250nm light emission and optical gain in AlGaN materials J. Appl. Phys. 113, 013106 (2013) Additional information on J. Appl. Phys. 19 cm À3 is indicated by the appearance of a dip structure in the infrared spectral region related to a loss in reflectivity of p-polarized light as a consequence of reduced LO phonon plasmon coupling, by vanishing free-charge carrier induced birefringence in the optical Hall-effect measurements, and by a sudden change in phonon-plasmon broadening behavior despite continuous change in the Mg concentration. By modeling the near-infrared-to-vacuum-ultraviolet ellipsometry data, information about layer thickness, electronic interband transitions, as well as surface roughness is extracted in dependence of the Mg concentration. A parameterized model that accounts for the phonon-plasmon coupling is applied for the infrared spectral range to determine the free-charge carrier concentration and mobility parameters in the doped bulk InN layer as well as the GaN template and undoped InN buffer layer. The optical Hall-effect best-match model parameters are consistent with those obtained from infrared ellipsometry analysis. V C 2013 American Institute of Physics. [http://dx

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“…Even basic parameters, such as its direct bandgap value, were the subject of some controversy [3][4][5][6][7][8], it is now clear that InN a direct gap of of ~0.7eV, in contrast to the previously believed 1.9eV. In many instances the larger reported bandgap values can be understood by a significant Burstein-Moss shift due to the high free electron concentration in the samples [9].…”

Section: Introductionmentioning

confidence: 99%

Electronic and Optical Properties of Energetic Particle-Irradiated In-rich InGaN

Jones

et al. 2005

MRS Proc.

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Anisotropy of the dielectric function for wurtzite InN

Cited by 63 publications

References 14 publications

A Comparison of the~Structural, Electronic, Optical and Elastic Properties of Wurtzite, Zinc-Blende and Rock Salt TlN: A DFT Study

A Comparison of the~Structural, Electronic, Optical and Elastic Properties of Wurtzite, Zinc-Blende and Rock Salt TlN: A DFT Study

Infrared to vacuum-ultraviolet ellipsometry and optical Hall-effect study of free-charge carrier parameters in Mg-doped InN

Electronic and Optical Properties of Energetic Particle-Irradiated In-rich InGaN

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