Size-dependent optical properties of small titanium nitride nanoclusters

Bhagowati, Purbajyoti; Saha, Payal; Sahariah, Munima B.

doi:10.1016/j.commatsci.2023.112060

Cited by 3 publications

(2 citation statements)

References 36 publications

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“…These materials promise potential applications for current technological devices. Particular interest has been focused in understanding the impact of nanoscaling the physical and chemical properties of both thin films and nanoparticles [1][2][3][4].…”

Section: Introductionmentioning

confidence: 99%

Tailoring optical response in nanostructured bilayers: Effects of surface roughness and layer thickness on NbN/Nb and TiN/Ti

Polito Lucas,

Flores Ruiz,

García Vázquez

et al. 2024

Superficies y Vacio

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Numerical calculations were performed on NbN/Nb and TiN/Ti nanostructured bilayers. Discrete dipole approximationimplemented in the DDSCAT code was utilized. In order to design a TUC (Target Unit Cell) with realistic surfaceroughnesspattern, Atomic Force Microscope images of 100 ±10 nm Nb thin films were used. The optical properties of nanostructured bilayers (60-100 nm thickness with a ±10 nm surface roughness) were calculated, keeping the interfacebetween the layers as smooth flat surfaces. For the NbN/Nb nanostructure with a thickness between 100 ±10 nm, and 70 ±10 nm, in a wavelength range between 200 and 350 nm, the reflectance and absorptance show a nearly flat spectrumwith an intensity of 20% and 80%, respectively. For larger wavelengths, absorptance decays smoothly. In contrast, for the 60 ±10 nm bilayer, the absorptance decays faster. For the TiN/Ti nanostructure, at 415 nm, a relative maximum in the reflectance, and a minimum in absorptance, are observed. The critical value of the absorbed light spectra begins to shift to higher wavelengths as the thickness of the TiN layer increases. We demonstrate that adding a rough nitride layer on top of its metallized layer drastically modifies the optical response of the nanostructured bilayer, an interesting result forplasmonics and nanoelectronics applications.

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Section: Introductionmentioning

confidence: 99%

Tailoring optical response in nanostructured bilayers: Effects of surface roughness and layer thickness on NbN/Nb and TiN/Ti

Polito Lucas,

Flores Ruiz,

García Vázquez

et al. 2024

Superficies y Vacio

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“…However, in recent years, progress in this field is also noticed [51][52][53][54][55][56][57][58]. Among the metal nitrides, few theoretical reports are found studying titanium nitride and tantalum nitride clusters [59][60][61][62][63]. In this work, efforts have been made to generate the optimized geometries of Zr n N n NCs (n = 4-10) using ab initio molecular dynamics (AIMD) simulation followed by the calculation of their electronic properties.…”

Section: Introductionmentioning

confidence: 99%

Structure, stability and electronic properties of zirconium nitride nanoclusters

Bhagowati,

Sahariah

2023

Nanotechnology

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Zirconium nitride (ZrN) is an industrial material having very high melting point, hardness and chemical stability. Compared to the bulk ZrN, its nanoclusters are rarely explored. In this report, we generate a few small ZrN nanoclusters using ab-initio molecular dynamics simulation. We investigate their electronic properties in terms of Bader charge, electron localization function and density of states. The obtained results are compared with their bulk counterpart. We also study the static and dynamical stability of the nanoclusters with the help of binding energy, density of states and phonon dispersion spectra. The electron localization function of bulk ZrN is reported here for the ﬁrst time to better understand its often confusing bonding behaviour.

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Whether macro-droplets generate or develop in depositing hard coatings by cathodic arc evaporation technique

Ali¹,

Hamzah²,

Hamid³

et al. 2023

International Journal of Refractory Metals and Hard Materials

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Size-dependent optical properties of small titanium nitride nanoclusters

Cited by 3 publications

References 36 publications

Tailoring optical response in nanostructured bilayers: Effects of surface roughness and layer thickness on NbN/Nb and TiN/Ti

Tailoring optical response in nanostructured bilayers: Effects of surface roughness and layer thickness on NbN/Nb and TiN/Ti

Structure, stability and electronic properties of zirconium nitride nanoclusters

Whether macro-droplets generate or develop in depositing hard coatings by cathodic arc evaporation technique

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