Electronic structure and optical properties of TeO2 polymorphs
The structural, electronic and, optical properties of TeO2 with three crystal structures are calculated using the density functional theory (DFT). The lattice parameters (a and c), bulk modulus (B) and its pressure derivative (B′) are all calculated for three polymorphs of TeO2: paratellurite (α-TeO...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2019-06-01
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| Series: | Results in Physics |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379717306952 |