High temperature mediated rocksalt to wurtzite phase transformation in cadmium oxide nano-sheets and their theoretical evidence
In the paper, high temperature induced phase transformation in chemically grown CdO thin films has been demonstrated whereas their corresponding electronic origin is further investigated by density functional theory. In particular, cubic rocksalt to hexagonal wurtzite PT in 900 degree centigrade ann...
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Language | English |
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24.04.2019
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Abstract | In the paper, high temperature induced phase transformation in chemically
grown CdO thin films has been demonstrated whereas their corresponding
electronic origin is further investigated by density functional theory. In
particular, cubic rocksalt to hexagonal wurtzite PT in 900 degree centigrade
annealed CdO thin films is confirmed by Xray diffraction , consistent with High
Resolution Transmission Electron Microscopy. Such high temperature treatment
also leads to significant enhancement in optical band gap from 2.2 to 3.2 eV as
manifested by UV-Visible spectroscopy. Moreover, atomic force microscopy and
scanning electron microscopy clearly evidence the structural evolution via
formation of nano-sheet network in wurtzite phased CdO films. Furthermore, Xray
Absorption spectra at oxygen k edge revealed a notable shift in inflection
point of absorption edge while X-ray Photoelectron spectroscopy of Cd 3d and O
1s suggested the gradual reduction in CdO2 phase with increasing annealing
temperature. In addition, different complementary techniques including
Rutherford Backscattering, Raman Spectroscopy have also been exploited to
understand the aforementioned PT and their structural correlation. Finally,
molecular dynamics simulation along with density functional theory calculations
suggest that symmetry modification at Brillouin zone boundary provides a
succinct signature for such PT in CdO thin film. |
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AbstractList | In the paper, high temperature induced phase transformation in chemically
grown CdO thin films has been demonstrated whereas their corresponding
electronic origin is further investigated by density functional theory. In
particular, cubic rocksalt to hexagonal wurtzite PT in 900 degree centigrade
annealed CdO thin films is confirmed by Xray diffraction , consistent with High
Resolution Transmission Electron Microscopy. Such high temperature treatment
also leads to significant enhancement in optical band gap from 2.2 to 3.2 eV as
manifested by UV-Visible spectroscopy. Moreover, atomic force microscopy and
scanning electron microscopy clearly evidence the structural evolution via
formation of nano-sheet network in wurtzite phased CdO films. Furthermore, Xray
Absorption spectra at oxygen k edge revealed a notable shift in inflection
point of absorption edge while X-ray Photoelectron spectroscopy of Cd 3d and O
1s suggested the gradual reduction in CdO2 phase with increasing annealing
temperature. In addition, different complementary techniques including
Rutherford Backscattering, Raman Spectroscopy have also been exploited to
understand the aforementioned PT and their structural correlation. Finally,
molecular dynamics simulation along with density functional theory calculations
suggest that symmetry modification at Brillouin zone boundary provides a
succinct signature for such PT in CdO thin film. |
Author | Ahuja, Rajeev Aliukov, Sergei Saini, Chetan Prakash Singh, Deobrat Das, Arkaprava |
Author_xml | – sequence: 1 givenname: Arkaprava surname: Das fullname: Das, Arkaprava – sequence: 2 givenname: Chetan Prakash surname: Saini fullname: Saini, Chetan Prakash – sequence: 3 givenname: Deobrat surname: Singh fullname: Singh, Deobrat – sequence: 4 givenname: Rajeev surname: Ahuja fullname: Ahuja, Rajeev – sequence: 5 givenname: Sergei surname: Aliukov fullname: Aliukov, Sergei |
BackLink | https://doi.org/10.48550/arXiv.1904.10735$$DView paper in arXiv |
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Snippet | In the paper, high temperature induced phase transformation in chemically
grown CdO thin films has been demonstrated whereas their corresponding
electronic... |
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Title | High temperature mediated rocksalt to wurtzite phase transformation in cadmium oxide nano-sheets and their theoretical evidence |
URI | https://arxiv.org/abs/1904.10735 |
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