Theoretical description of pressure-induced phase transitions: A case study of Ti-V alloys
We discuss theoretical description of pressure-induced phase transitions by means of first-principles calculations in the framework of density functional theory. We illustrate applications of theoretical tools that allow one to take into account configurational and vibrational disorders, considering...
| Main Authors: | , , , , , , , , , |
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| Format: | Journal Article |
| Published: |
Taylor and Francis Ltd.
2015
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| Online Access: | http://hdl.handle.net/20.500.11937/44345 |