Infrared Properties of NiO and CoO and Their Mixed Crystals

Gielisse, P. J.; Plendl, J. N.; Mansur, L. C.; Marshall, Robert C.; Mitra, S. S.; Mykolajewycz, R.; Smakula, Alexander

doi:10.1063/1.1714508

Cited by 197 publications

(68 citation statements)

References 14 publications

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“…While Ni2H and Ni can not be determined from the FT-IR spectra NiO phase is expected to give bands at 402 cm -l (TO mode), 580 cm -l (LO mode) and a lattice mode corresponding to Ni-O vibration (02 mode) due to the highly anharmonic lattice potential [16][17][18]. In the spectra of the powder samples a surface mode (vs) was found.…”

Section: Resultsmentioning

confidence: 95%

Sol-gel derived hydrated nickel oxide electrochromic films: Optical, spectroelectrochemical and structural properties

Šurca

Orel

Pihlar

1997

J Sol-Gel Sci Technol

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Abstract. Electrochromic hydrated Ni-oxide films were prepared using a dip-coating technique from a nickel sulphate heptahydrate precursor in combination with glycerol, formamide and polyvinyalcohol. In-situ monochromatic (~ = 400 nm) spectroelectrochemical measurements using a potential of -0.4 V to 0.8 V in 0.1M LiOH electrolyte revealed that the electrochromic efficiency was 23.5 cm2/C. The observed colouring/bleaching transmittance of a 100 nm thick film changed during potential cycling (20 cycles) by 45%. Ex-situ FT-IR absorption/reflection measurements performed at near-grazing incidence angle conditions (80 ~ ) confirmed transformation of as-deposited ol-Ni(OH)2 phase to fl-Ni(OH)2 at cathodic (bleached state) and/~-NiOOH at anodic (coloured state) potentials during extended cycling (200 cycles). Clear evidence of the OH-ions insertion and release of SO42-ions from the as-deposited films when soaked (0.5 hour) in 0.1M LiOH are given. These processes are accompanied by the transformation of the residual CO0-groups originating from the peptisation with glacial acetic acid into CO Ispecies residing in the films during extensive potential cycling.

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Section: Resultsmentioning

confidence: 95%

Sol-gel derived hydrated nickel oxide electrochromic films: Optical, spectroelectrochemical and structural properties

Šurca

Orel

Pihlar

1997

J Sol-Gel Sci Technol

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“…1, right panel). This frequency is also near the LO frequency of CoO (546 cm -1 ) [13] but CoO (like MnO) is of the NaCl structure and thus the possibility of clusters of CoO is ruled out for the same reason. The poorer quality of the surface of the ZnO:Co sample did not allow a good polarization analysis but a similar interpretation as that for ZnO:Mn is plausible.…”

Section: Raman Scattering Measurementsmentioning

confidence: 93%

Raman scattering on Mn or Co doped ZnO crystals

Jouanne

Morhange

Szuszkiewicz

et al. 2006

Phys. Status Solidi (c)

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International audienceSingle crystals of bulk ZnO containing up to about 3% of Mn or Co were grown by chemical vapour transport method and characterized by Raman scattering. By comparison with Raman data taken on pure ZnO samples, a few new structures were observed in the spectra of the doped crystals. The determined frequencies of the new modes were compared with existing Raman data, corresponding to ZnO crystals containing various dopants, taken from the literature. A possible attribution of the observed modes to local impurity modes is discussed. (c) 2006 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim

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“…Our calculated value of ε ∞ = 5.002 is close to the experimental value of 5.7 for the AFM phase [52]. The low-frequency dielectric constant ε 0 can be calculated from the LyddaneSachs-Teller relation [53] for the cubic system: ω…”

Section: Phonon Dispersion Relationsmentioning

confidence: 77%

“…The calculated value at T = 500 K (ε 0 = 12.6) is close to the experimental ε 0 = 11.75 value for the AFM phase [52]. Phonon spectra of the PM phase of NiO was calculated in the framework of DMFT in Ref.…”

Section: Phonon Dispersion Relationsmentioning

confidence: 99%

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

et al. 2018

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Using the disordered local moments approach in combination with the ab initio molecular dynamics method, we simulate the behavior of a paramagnetic phase of NiO at finite temperatures to investigate the effect of magnetic disorder, thermal expansion, and lattice vibrations on its electronic structure. In addition, we study its lattice dynamics. We verify the reliability of our theoretical scheme via comparison of our results with available experiment and earlier theoretical studies carried out within static approximations. We present the phonon dispersion relations for the paramagnetic rock-salt (B1) phase of NiO and demonstrate that it is dynamically stable. We observe that including the magnetic disorder to simulate the paramagnetic phase has a small yet visible effect on the band gap. The amplitude of the local magnetic moment of Ni ions from our calculations for both antiferromagnetic and paramagnetic phases agree well with other theoretical and experimental values. We demonstrate that the increase of temperature up to 1000 K does not affect the electronic structure strongly. Taking into account the lattice vibrations and thermal expansion at higher temperatures have a major impact on the electronic structure, reducing the band gap from ∼3.5 eV at 600 K to ∼2.5 eV at 2000 K. We conclude that static lattice approximations can be safely employed in simulations of the paramagnetic state of NiO up to relatively high temperatures (∼1000 K), but as we get closer to the melting temperature vibrational effects become quite large and therefore should be included in the calculations.

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Infrared Properties of NiO and CoO and Their Mixed Crystals

Cited by 197 publications

References 14 publications

Sol-gel derived hydrated nickel oxide electrochromic films: Optical, spectroelectrochemical and structural properties

Sol-gel derived hydrated nickel oxide electrochromic films: Optical, spectroelectrochemical and structural properties

Raman scattering on Mn or Co doped ZnO crystals

Effect of the lattice dynamics on the electronic structure of paramagnetic NiO within the disordered local moment picture

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