Optical properties of vanadium pentoxide determined from ellipsometry and band-structure calculations

Parker, John C.; Lam, D. J.; Xu, Yong‐Nian; Ching, W. Y.

doi:10.1103/physrevb.42.5289

Cited by 76 publications

(74 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The origin of the reduction factor is discussed below. We note that our LDA results differ somewhat from the LDA calculations presented in Parker et al 26 because of the use of different band structure methods. Because of the anisotropy we need to distinguish the ε xx , ε yy and ε zz components.…”

Section: B Bulk Band Structure and Optical Properties In Qsgwcontrasting

confidence: 51%

“…The experimental result seems to strongly overestimate the z polarized ε 2 (ω). This was also the case for the LDA results of Parker et al 26 . This may be related to experimental difficulties in measuring the E c component.…”

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 54%

“…Instead of just comparing with the quoted gap values, we also compare our calculated optical dielectric function directly with experimental data from spectroscopic ellipsometry by Parker et al 26 . In Fig.…”

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 99%

“…This may be related to experimental difficulties in measuring the E c component. In, fact Parker et al 26 mention that all measurements are done on ab-planes, so the latter are obtained from differences between two incident angles which however were chosen rather close to each other instead of using nearly normal and nearly glancing incidence.…”

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 99%

“…While several previous first-principles band structure studies have been performed [24][25][26][27] of this material in the local density approximation (LDA) or generalized gradient approximation (GGA), these methods suffer from underestimates of the band gap. We are aware of only one previous study of V 2 O 5 band structure at the GW level.…”

Section: Introductionmentioning

confidence: 99%

See 4 more Smart Citations

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

2015

View full text Add to dashboard Cite

Quasiparticle self-consistent (QS) GW calculations are performed for bulk and monolayer V2O5. The orbital character of the bands and the bulk monolayer difference at the LDA level are discussed first. We find that the QSGW self-energy overestimates the gap by an unusually large amount. The main reason for this is identified to be the lattice polarization effect: the large LO-TO splittings in this polar material enhance the screening and reduce the screened Coulomb interaction affecting the gap. The effect is estimated to reduce the screened Coulomb interaction and hence the self-energy by a factor 0.38 (for bulk) and brings the calculated optical response functions in fairly good agreement with experiment. For monolayer V2O5, we find that the QSGW gap varies as 1/L with L the size of the spacing between the monolayers in a supercell. This results from the long-range nature of the self-energy Σ = iGW and the similar 1/L behavior of the dielectric screening.

show abstract

Section: B Bulk Band Structure and Optical Properties In Qsgwcontrasting

confidence: 51%

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 54%

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 99%

Section: B Bulk Band Structure and Optical Properties In Qsgwmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

See 3 more Smart Citations

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

2015

View full text Add to dashboard Cite

show abstract

SiN/VO₂/SiN Sandwich‐Based Resonant Waveguide Grating to Produce Thermally Activated Optical Components

Bleu

Bruhier

Pouit

et al. 2023

Advanced Optical Materials

View full text Add to dashboard Cite

The insulator‐to‐metal transition (IMT) of vanadium dioxide (VO2) at ≈68 °C enables a variety of optical applications, including switching and modulation, and tuning of optical resonators. This work designs and demonstrates a novel thermally activated optical switch consisting of a SiN/VO2/SiN multilayer sandwich structure with an AMONIL‐based grating with a reduced transition temperature of 47 °C. The optical switching in the multilayer is due to the IMT of the VO2‐embedded layer. Here, the asymmetrical TE1 mode exhibiting a quasi‐zero electric field in the center of the multilayer waveguide is excited in the resonant waveguide grating (RWG) structure under normal incidence via the AMONIL‐based grating printed on top, leading to high resonant transmittance (75%) at room temperature. Increasing the temperature to more than 47 °C causes VO2 to undergo an insulator‐to‐metal transition accompanied by optical modifications in the IR region, completely canceling the resonance effect, while reducing the transmittance to 30%. Further, the modeling results aimed at optimizing the design of the experimental structure. These results demonstrate good performance of the proposed design and pave the way to fabricate VO2‐based optical switches for photonics applications including lasers, sensors, and detectors, in which external stimuli such as heat affect the transmittance or reflectance spectrum.

show abstract

Raman spectrum of vanadium pentoxide from density‐functional perturbation theory

Zhou

2008

J Raman Spectroscopy

View full text Add to dashboard Cite

We present ab initio calculation within the framework of the density-functional theory (DFT) on band structure and vibrational properties of bulk V 2 O 5 . The structure of V 2 O 5 comes from optimization of the experimental data with lattice parameters fixed. The band structure of the optimized structure has been calculated, and the result fits the experimental data very well and also gives similar results as those calculated by other methods. The phonon eigenwavenumbers of the 0-point of V 2 O 5 bulk have been calculated ab initio in density-functional perturbation theory (DFPT). The calculated vibrational wavenumbers are in good agreement with observed infrared and Raman wavenumbers, and the predictive full phonon dispersion of bulk V 2 O 5 has also been obtained. Further we calculated the Raman spectrum of vanadium pentoxide (V 2 O 5 ) powder sample using the obtained Raman susceptibility. Calculated and measured intensities show overall good agreement.

show abstract

Optical properties of vanadium pentoxide determined from ellipsometry and band-structure calculations

Cited by 76 publications

References 18 publications

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

SiN/VO₂/SiN Sandwich‐Based Resonant Waveguide Grating to Produce Thermally Activated Optical Components

Raman spectrum of vanadium pentoxide from density‐functional perturbation theory

Contact Info

Product

Resources

About

Optical properties of vanadium pentoxide determined from ellipsometry and band-structure calculations

Cited by 76 publications

References 18 publications

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

Quasiparticle self-consistentGWcalculations of the electronic band structure of bulk and monolayerV2O5

SiN/VO2/SiN Sandwich‐Based Resonant Waveguide Grating to Produce Thermally Activated Optical Components

Raman spectrum of vanadium pentoxide from density‐functional perturbation theory

Contact Info

Product

Resources

About

SiN/VO₂/SiN Sandwich‐Based Resonant Waveguide Grating to Produce Thermally Activated Optical Components