DFT studies of BaTiO3
The structure of stable phases is investigated using first-principle calculations based on the functionals: LDA, GGA and newly developed general-purpose heavily constrained and appropriately normalized meta GGAfunctional (SCAN). The purpose of this study is to theoretically study the atomic displac...
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| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Academician Ye.A. Buketov Karaganda University
2023-06-01
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| Series: | Қарағанды университетінің хабаршысы. Физика сериясы |
| Subjects: | |
| Online Access: | https://phs.buketov.edu.kz/index.php/physics-vestnik/article/view/527 |
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