Optical properties of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi mathvariant="normal">Ti</mml:mi><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">C</mml:mi></mml:mrow><mml:mrow><mml:mi>x</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math>(<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>0.64</mml:mn><mml:mi>≤</mml:mi><mml:mi>x</mml:mi><mml:mi>≤</mml:mi><mml:mn>0.90</mml:mn></mml:math>) from 0.1 to 30 eV

Lynch, David W.; Olson, C. G.; Peterman, D. J.; Weaver, J. H.

doi:10.1103/physrevb.22.3991

Cited by 53 publications

(22 citation statements)

References 27 publications

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“…e result of Ti 2 InC is somewhat different as regards the energy range for negativity of 1 . e dielectric function of Ti 2 InC is compared with that of TiC 0.9 [33]. We see that the double peak structure centred at 1.7 eV for TiC 0.9 is replaced with a sharp peak at around 0.7 eV for Ti 2 InC. e spectra differ at low energy due to the electronic structure change near the Fermi level, induced by the addition of In layer in TiC.…”

Section: Ermodynamic Properties At Elevated Temperature Andmentioning

confidence: 96%

Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting InX (X = C, N)

Roknuzzaman

Islam

2013

ISRN Condensed Matter Physics

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e structural, elastic, electronic, thermal, and optical properties of superconducting nanolaminates Ti 2 InX (X = C, N) are investigated by density functional theory (DFT). e results obtained from the least studied nitride phase are discussed in comparison with those of carbide phase having value half as that of the former. e carbide phase is found to be brittle in nature, while the nitride phase is less brittle. Elastic anisotropy demonstrates that the c-axis is stiffer in Ti 2 InN than in Ti 2 InC. e band structure and density of states show that these phases are conductors, with contribution predominantly from the Ti 3d states. e bulk modulus, Debye temperature, speci�c heats, and thermal expansion coefficient are obtained as a function of temperature and pressure for the �rst time through the quasiharmonic Debye model with phononic effects. e estimated values of electron-phonon coupling constants imply that Ti 2 InC and Ti 2 InN are moderately coupled superconductors. e calculated thermal expansion coefficient is in fair agreement with the only available measured value for Ti 2 InC. Further the �rst time calculated optical functions reveal that the re�ectivity is high in the IR-visible-�V region up to ∼10 eV and 12.8 eV for Ti 2 InC and Ti 2 InN, respectively, showing these to be promising coating materials.

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Section: Ermodynamic Properties At Elevated Temperature Andmentioning

confidence: 96%

Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting InX (X = C, N)

Roknuzzaman

Islam

2013

ISRN Condensed Matter Physics

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“…The contribution of electronic IBTs at photon energies as low as 0.1 eV has been reported for TiC x . 31 According to band structure calculations for Ti 2 AlC, the maxima in the DOS are closer to E F than in Ti 2 AlN. 5,7 This fact could explain the origin of the strong IBT at lower energies in the former compound.…”

Section: Figmentioning

confidence: 99%

Spectroscopic ellipsometry study on the dielectric function of bulk Ti2AlN, Ti2AlC, Nb2AlC, (Ti0.5,Nb0.5)2AlC, and Ti3GeC2 MAX-phases

Mendoza-Galván¹,

Rybka²,

Järrendahl³

et al. 2011

Journal of Applied Physics

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The averaged complex dielectric function = ͑2 Ќ + ʈ ͒ / 3 of polycrystalline Ti 2 AlN, Ti 2 AlC, Nb 2 AlC, ͑Ti 0.5 ,Nb 0.5 ͒ 2 AlC, and Ti 3 GeC 2 was determined by spectroscopic ellipsometry covering the mid infrared to the ultraviolet spectral range. The dielectric functions Ќ and ʈ correspond to the perpendicular and parallel dielectric tensor components relative to the crystallographic c-axis of these hexagonal compounds. The optical response is represented by a dispersion model with DrudeLorentz and critical point contributions. In the low energy range the electrical resistivity is obtained from the Drude term and ranges from 0.48 ⍀ m for Ti 3 GeC 2 to 1.59 ⍀ m for ͑Ti 0.5 ,Nb 0.5 ͒ 2 AlC. Furthermore, several compositional dependent interband electronic transitions can be identified. For the most important ones, Im͑ ͒ shows maxima at: 0.78, 1.23, 2.04, 2.48, and 3.78 eV for Ti 2 AlN; 0.38, 1.8, 2.6, and 3.64 eV for Ti 2 AlC; 0.3, 0.92, and 2.8 eV in Nb 2 AlC; 0.45, 0.98, and 2.58 eV in ͑Ti 0.5 ,Nb 0.5 ͒ 2 AlC; and 0.8, 1.85, 2.25, and 3.02 eV in Ti 3 GeC 2 .

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“…5g. For comparison, the measured spectra of TiC 0.97 [47] eV. Again, the reflectivity of TiC 0.97 increases to reach another almost constant value.…”

Section: Optical Propertiesmentioning

confidence: 99%

“…where ω is the frequency of light, e is the electronic charge, û is the vector defining the polarization of the incident electric field, and [47] for comparison. In the range of ε 1 < 0, the real part of the dielectric function goes through zero from below, which reveals the metallic characteristic of Ti 2 GeC.…”

Section: Optical Propertiesmentioning

confidence: 99%

New MAX Phase Superconductor Ti<sub>2</sub>GeC: A First-principles Study

et al. 2013

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This is the first DFT-based first-principles prediction of the detailed optical and thermodynamic properties, including Vickers hardness and Fermi surface of 211 MAX phase Ti 2 GeC for which superconductivity (T c~ 9.5 K) was reported very recently. The calculated structural properties are in excellent agreement with experiments. Our results on elastic parameters indicate a slight elastic anisotropy and brittleness of the compound. The chemical bonding is seen to be a combination of covalent, ionic and metallic nature. The rather stronger covalent bonding is responsible for its high Vickers hardness of 11.6 GPa. The investigated Fermi surface is formed mainly by the low-dispersive bands, which should be responsible for the presence of superconductivity in Ti 2 GeC. All the optical properties are evaluated and analyzed for two different polarization directions of incident photon. The temperature and pressure dependence of primitive cell volume, thermal expansion coefficient, specific heats, bulk modulus, and Debye temperature of Ti 2 GeC are derived from the quasi-harmonic Debye model with phononic effect and the various implications are discussed in details.

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Optical properties ofTiCx(0.64≤x≤0.90) from 0.1 to 30 eV

Cited by 53 publications

References 27 publications

Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting InX (X = C, N)

Ab Initio Investigation of Nitride in Comparison with Carbide Phase of Superconducting InX (X = C, N)

Spectroscopic ellipsometry study on the dielectric function of bulk Ti2AlN, Ti2AlC, Nb2AlC, (Ti0.5,Nb0.5)2AlC, and Ti3GeC2 MAX-phases

New MAX Phase Superconductor Ti<sub>2</sub>GeC: A First-principles Study

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