Transformations between tetrahedrally and octahedrally coordinated crystals: the wurtzite -> rocksalt and blende -> rocksalt mechanisms
The mechanism of the pressure-driven phase transformation from the wurtzite (B4) to rocksalt (B1) crystal structures is studied in a 'constant-stress' molecular dynamics simulation of a model ionic system. The mechanism differs significantly from that exhibited by the same system in transf...
| Main Authors: | , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2002
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