UGC Approved Journal no 63975

ISSN: 2349-5162 | ESTD Year : 2014
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Published in:

Volume 6 Issue 6
June-2019
eISSN: 2349-5162

UGC and ISSN approved 7.95 impact factor UGC Approved Journal no 63975

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Published Paper ID:
JETIR2006296


Registration ID:
234424

Page Number

2055-2058

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Title

First principle calculations of electronic structure and experimental determination of bandgap of CaWO4

Abstract

The optical properties of CaWO4 were studied in terms of Band Gap, adopting another method. The DFT method showed that the Band Gap was influenced by ionic radii and the electronic configuration of the divalent metal and conventional DFT + U method do not affect the structure of VB and CB, but increases Band Gap. The scheelite structured compounds, having point group symmetry show luminescence with greater energy gap. In this work, the change in the VB and CB levels with an effective variation in the Eg value has been observed. The charge density maps of VB clearly depict the localization of electron clouds with an increase in Hubbard U potential. The correct value of Eg (4.38eV) has been obtained for UW=7 eV and UO=3eV, which is supported by Uv-Vis data (Eg= 4.33eV).

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"First principle calculations of electronic structure and experimental determination of bandgap of CaWO4", International Journal of Emerging Technologies and Innovative Research (www.jetir.org), ISSN:2349-5162, Vol.6, Issue 6, page no.2055-2058, June-2019, Available :http://www.jetir.org/papers/JETIR2006296.pdf

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2349-5162 | Impact Factor 7.95 Calculate by Google Scholar

An International Scholarly Open Access Journal, Peer-Reviewed, Refereed Journal Impact Factor 7.95 Calculate by Google Scholar and Semantic Scholar | AI-Powered Research Tool, Multidisciplinary, Monthly, Multilanguage Journal Indexing in All Major Database & Metadata, Citation Generator

Cite This Article

"First principle calculations of electronic structure and experimental determination of bandgap of CaWO4", International Journal of Emerging Technologies and Innovative Research (www.jetir.org | UGC and issn Approved), ISSN:2349-5162, Vol.6, Issue 6, page no. pp2055-2058, June-2019, Available at : http://www.jetir.org/papers/JETIR2006296.pdf

Publication Details

Published Paper ID: JETIR2006296
Registration ID: 234424
Published In: Volume 6 | Issue 6 | Year June-2019
DOI (Digital Object Identifier):
Page No: 2055-2058
Country: Visakhapatnam, Andhra Pradesh, India .
Area: Physics
ISSN Number: 2349-5162
Publisher: IJ Publication


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