Role of Defects in the Phase Transition of VO<sub>2</sub> Nanoparticles Probed by Plasmon Resonance Spectroscopy

Appavoo, Kannatassen; Lei, Dangyuan; Sonnefraud, Yannick; Wang, Bin; Pantelides, Sokrates T.; Maier, Stefan A.; Haglund, Richard F.

doi:10.1021/nl203782y

Cited by 198 publications

(169 citation statements)

References 48 publications

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“…The results are presented in Table II with different possible charge states. The calculated formation energy of V O is 3.610 eV, which is in vicinity of 3.4 eV derived from the PBE+U calcualtions by Appavoo et al 48 Moreover, 3.610 eV is also in good accordance with 3.53 eV obtained by Mellan et al through the GGA approximation in the form of PBE. 49 The minor differences in the formation energy of oxygen vacancy obtained by different methods can be explained by the differences in calculation details, such as the pseudopotential types, exchange-correlation potential functionals, relaxation approaches and the kpoint sampling.…”

Section: Resultssupporting

confidence: 86%

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

et al. 2016

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VO2 is an attractive candidate for intelligent windows and thermal sensors. There are challenges for developing VO2-based devices, since the properties of monoclinic VO2 are very sensitive to its intrinsic point defects. In this work, the formation energies of the intrinsic point defects in monoclinic VO2 were studied through the first-principles calculations. Vacancies, interstitials, as well as antisites at various charge states were taken into consideration, and the finite-size supercell correction scheme was adopted as the charge correction scheme. Our calculation results show that the oxygen interstitial and oxygen vacancy are the most abundant intrinsic defects in the oxygen rich and oxygen deficient condition, respectively, indicating a consistency with the experimental results. The calculation results suggest that the oxygen interstitial or oxygen vacancy is correlated with the charge localization, which can introduce holes or electrons as free carriers and subsequently narrow the band gap of monoclinic VO2. These calculations and interpretations concerning the intrinsic point defects would be helpful for developing VO2-based devices through defect modifications.

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Section: Resultssupporting

confidence: 86%

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

et al. 2016

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“…[17][18][19] Characteristics of the transition is influenced by the nature of the phases (M1, M2, T, R), microstructure (i.e. morphology and relative orientation of the grains and the grain boundaries) 20 and doping. 21 While some reports have shown emergence of M2 phase with W, there are also others that discount the possibility of stabilization of M2 phase.…”

Section: Introductionmentioning

confidence: 99%

Effect of W addition on the electrical switching of VO2 thin films

Rajeswaran

Umarji

2016

AIP Advances

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Vanadium Oxide has been a frontrunner in the field of oxide electronics because of its metal-insulator transition (MIT). The interplay of different structures of VO2 has played a crucial role in deciding the magnitude of the first order MIT. Substitution doping has been found to introduce different polymorphs of VO2. Hence the role of substitution doping in stabilizing the competing phases of VO2 in the thin film form remains underexplored. Consequently there have been reports both discounting and approving such a stabilization of competing phases in VO2. It is reported in the literature that the bandwidth of the hysteresis and transition temperature of VO2 can be tuned by substitutional doping of VO2 with W. In this work, we have adopted a novel technique called, Ultrasonic Nebulized Spray Pyrolysis of Aqueous Combustion Mixture (UNSPACM) to deposit VO2 and W- doped VO2 as thin films. XRD and Raman spectroscopy were used to investigate the role of tungsten on the structure of VO2 thin films. Morphology of the thin films was found to be consisting of globular and porous nanoparticles of size ∼ 20nm. Transition temperature decreased with the addition of W. We found that for 2.0 at % W doping in VO2, the transition temperature has reduced from 68 o C to 25 o C. It is noted that W-doping in the process of reducing the transition temperature, alters the local structure and also increases room temperature carrier concentration.

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“…A variety of alternative materials have been explored, including: doped semiconductors, 5 graphene, 6 chalcogenides, 7 tunable metal-semiconductor materials, 8,9 transparent conducting oxides, 10 heavily-doped conducting polymers, 11 and some nitrides, 12,13 among others. All of these materials yield a plasmonic response owing to the free charge-carriers they contain.…”

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confidence: 99%

Optical Field-Enhancement and Subwavelength Field-Confinement Using Excitonic Nanostructures

Gentile¹,

2014

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We show that dye-doped polymers open an interesting route to controlling light at the nanoscale. Just as for the much better known metal-based plasmonic systems, propagating and localized modes are possible. We show that the attractive features offered by plasmonics, specifically enhanced optical fields and sub-wavelength field confinement, are also available with these materials. They thus open a new opportunity in nanophotonics in which fabrication and functionality might be achieved by harnessing molecular and supramolecular chemistry.Much is expected of plasmonics, with applications being pursued over a wide range of fields from on-chip plasmonic circuits 1 to nanoantennae for the emission of light. 2 The key to this wideranging interest is that plasmonics enables the control of light deep into the sub-wavelength regime, right down to the nanoscale. 3 Noble metals such as gold and silver have fuelled the plasmonics

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Role of Defects in the Phase Transition of VO₂ Nanoparticles Probed by Plasmon Resonance Spectroscopy

Cited by 198 publications

References 48 publications

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

Effect of W addition on the electrical switching of VO2 thin films

Optical Field-Enhancement and Subwavelength Field-Confinement Using Excitonic Nanostructures

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Role of Defects in the Phase Transition of VO2 Nanoparticles Probed by Plasmon Resonance Spectroscopy

Cited by 198 publications

References 48 publications

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

Formation energies of intrinsic point defects in monoclinic VO2 studied by first-principles calculations

Effect of W addition on the electrical switching of VO2 thin films

Optical Field-Enhancement and Subwavelength Field-Confinement Using Excitonic Nanostructures

Contact Info

Product

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Role of Defects in the Phase Transition of VO₂ Nanoparticles Probed by Plasmon Resonance Spectroscopy