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...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2021-03-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://www.icmp.lviv.ua/journal/zbirnyk.105/13702/abstract.html |