First principle study of structural, elastic, electronic and optical properties of Pb_0.5Sn_0.5TiO_3 and Pb_0.5Sn_0.5Ti_0.5(Zr_0.5)O_3

First principle study of structural, elastic, electronic and optical properties of Pb_0.5Sn_0.5TiO_3 and Pb_0.5Sn_0.5Ti_0.5(Zr_0.5)O_3

The structural, electronic, elastic and optical properties of tetragonal (P4mm) phase of Pb_0.5Sn_0.5TiO_3 (PSTO) and Pb_0.5Sn_0.5Ti_0.5(Zr_0.5)O_3 (PSTZO) are examined by first-principles calculations based on the density functional theory (DFT) using the pseudo-potential plane wave (PP-PW) scheme...

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Bibliographic Details
Main Authors: S.G. Kuma, M.M. Woldemariam
Format: Article
Language:English
Published: Institute for Condensed Matter Physics 2021-03-01
Series:Condensed Matter Physics
Subjects:
dft
psto and pstzo
electronic
elastic and optical properties
Online Access:http://www.icmp.lviv.ua/journal/zbirnyk.105/13702/abstract.html

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