High pressure structural stability of the Na-Te system
The ab initio evolutionary algorithm is used to search for all thermodynamically stable Na-Te compounds at extreme pressure. In our calculations, several new structures are discovered at high pressure, namely, Imma Na2Te, Pmmm NaTe, Imma Na8Te2 and P4/mmm NaTe3. Like the known structures of Na2Te (F...
| Main Authors: | , , , , , , , |
|---|---|
| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-03-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5013051 |