Optical Properties of Au-Doped Titanium Nitride Nanostructures: a Connection Between Density Functional Theory and Finite-Difference Time-Domain Method

Shabani, Alireza; Nezhad, Mehdi Khazaei; Rahmani, Neda; Roknabadi, Mahmood Rezaee; Behdani, Mohammad; Sanyal, Biplab

doi:10.1007/s11468-019-00982-1

Cited by 5 publications

(4 citation statements)

References 29 publications

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“…To this end, we carry out DFT calculations to illustrate the metallic behavior for AZO via electronic density of states (DOS) and optical dielectric functions for the local density approximation (LDA) exchange‐correlation functional with and without Hubbard correction (LDA + U d ). Using Lorentzian distributions, [ 18 ] we subsequently extract the optical dispersion parameters (complex dielectric permittivity and refractive index) from our AZO DFT results, together with Drude–Lorentz parameters, highly relevant for any subsequent optical simulation involving these novel materials. As a concrete exemplary demonstration, we finally feed the generated optical dispersion data into an FDTD solver for optical simulations (by the Optiwave package) and simulated the optical response of a square array of u‐shaped AZO SRRs.…”

Section: Introductionmentioning

confidence: 99%

Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Shabani

Nezhad

Rahmani

et al. 2021

Advanced Photonics Research

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Due to the high rate of optical losses and the extensive usage of noble metals, alternative plasmonic materials with maximum tunability and low loss are desired for future plasmonic and metamaterial devices and applications. Herein, the potential of aluminum‐doped zinc oxide (AZO), one of the most prominent members of the transparent conducting oxide family, is demonstrated, for its applicability in plasmonic metamaterials. Using first‐principles density functional theory, combined with optical calculations, AZO‐based, plasmonic split‐ring resonators (SRRs) as model examples are showcased. The results match with experimental reports for the optical dielectric functions of pure and 2.08% Al‐doped zinc oxide (ZnO), if the Hubbard model to the local density approximation is applied. The broadband optical dispersion data for varying dopant concentrations (0%, 2.08%, and 6.25%) are extracted and provided. The subsequent optical response analyses show the existence of pronounced plasmons and inductor–capacitor modes in Al‐doped ZnO SRRs and an enhancement in metallic characteristics and plasmonic performance of AZO upon increasing Al concentration. The findings predict AZO as a low‐loss plasmonic material with promising capability for enhancing future optoelectronics applications. The method introduces a new, versatile approach to design future optical materials of arbitrary geometry.

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Section: Introductionmentioning

confidence: 99%

Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Shabani

Nezhad

Rahmani

et al. 2021

Advanced Photonics Research

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“…Among nitrides, TiN is of great interest to researchers and extensive studies have been done about its structural, optical, and electronic behavior. [19][20][21][22] Another member of the nitrides family, ZrN, has gained little attention, as only a few reports concern its optical properties; however, it is also a binary intermetallic compound showing similar features to TiN and exhibiting a gold-colored appearance. [23][24][25][26] Motivated by the aforementioned, we intend to investigate the optical response of ZrN in several well-known geometries and evaluate its plasmonics performance in such structures.…”

Section: Introductionmentioning

confidence: 99%

Zirconium Nitride: Optical Properties of an Emerging Intermetallic for Plasmonic Applications

Shabani

Korsa

Petersen

et al. 2021

Advanced Photonics Research

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Finding new plasmonic materials with prominent optical properties and unique physical and chemical characteristics, which are merits of traditional gold and silver, is of great interest to many applications. This work uses a series of powerful numerical methods, such as density functional theory (DFT) and electromagnetic modeling approaches, to predict the plasmonic response of a mechanically well‐known material, zirconium nitride (ZrN). DFT first delivers an electronic analysis and optical dispersion data between 1 and 8 eV, experimentally verified in the lower energy regime (), and extremely valuable for any subsequent optical modeling. Subsequent electromagnetic modeling steps, including the transfer matrix method (TMM) and Mie theory, demonstrate the excitation of surface plasmon polaritons and localized surface plasmon resonances in ZrN thin films and nanoparticles. Furthermore, the finite‐difference time‐domain (FDTD) method exhibits the excitation of distinct electric (plasmon) and magnetic (LC) resonances in a periodic array of u‐shaped ZrN split‐ring resonators (SRRs). The findings showcase an optical behavior comparable with structures made from noble metals such as gold and silver and support the introduction of ZrN as a new and appropriate candidate for plasmonic applications, specifically in technological applications where optical and mechanical properties are of simultaneous concern.

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“…F1 (red curve), F2 (brown curve), F3 (blue curve), F4 (green curve), F5 (cyan curve), F6 (magenta curve), and F7 (black curve) signified these seven EOT PCFs, as seen in Figure 5a. When W1, W2, and L1, L2 increased from 55 to 95 nm and 190 to 250 nm, respectively, these seven EOT PCF transmission peaks exhibited a Furthermore, the resonant cavity is well known to rely on waveguides to facilitate the propagation of gap plasmon modes [27]. However, the desired application may require a compromise between stability and transmission.…”

Section: Influence Of Width and Length (Symmetric Structure) On Extra...mentioning

confidence: 99%

Optical Transmission Plasmonic Color Filter with Wider Color Gamut Based on X-Shaped Nanostructure

et al. 2022

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Extraordinary Optical Transmission Plasmonic Color Filters (EOT-PCFs) with nanostructures have the advantages of consistent color, small size, and excellent color reproduction, making them a suitable replacement for colorant-based filters. Currently, the color gamut created by plasmonic filters is limited to the standard red, green, blue (sRGB) color space, which limits their use in the future. To address this limitation, we propose a surface plasmon resonance (SPR) color filter scheme, which may provide a RGB-wide color gamut while exceeding the sRGB color space. On the surface of the aluminum film, a unique nanopattern structure is etched. The nanohole functions as a coupled grating that matches photon momentum to plasma when exposed to natural light. Metals and surfaces create surface plasmon resonances as light passes through the metal film. The plasmon resonance wavelength can be modified by modifying the structural parameters of the nanopattern to obtain varied transmission spectra. The International Commission on Illumination (CIE 1931) chromaticity diagram can convert the transmission spectrum into color coordinates and convert the spectrum into various colors. The color range and saturation can outperform existing color filters.

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Optical Properties of Au-Doped Titanium Nitride Nanostructures: a Connection Between Density Functional Theory and Finite-Difference Time-Domain Method

Cited by 5 publications

References 29 publications

Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Revisiting the Optical Dispersion of Aluminum‐Doped Zinc Oxide: New Perspectives for Plasmonics and Metamaterials

Zirconium Nitride: Optical Properties of an Emerging Intermetallic for Plasmonic Applications

Optical Transmission Plasmonic Color Filter with Wider Color Gamut Based on X-Shaped Nanostructure

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