Structural and Electronic Properties of Qatranaite
The present work addresses the atomic structure and electronic properties of a recently discovered mineral qatranaite (CaZn2(OH)6·2H2O). The present study was performed theoretically by means of density functional theory- (DFT-) based calculations within the frame of local density approximation (LDA...
| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Hindawi Limited
2019-01-01
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| Series: | Advances in Materials Science and Engineering |
| Online Access: | http://dx.doi.org/10.1155/2019/4031823 |