Phase transformation B1 to B2 in TiC, TiN, ZrC and ZrN under pressure
Phase stability of various phases of MX (M=Ti, Zr; X=C, N) at equilibrium and under pressure is examined based on first-principles calculations of the electronic and phonon structures. The results reveal that all B1 (NaCl-type) MX structures undergo a phase transition to the B2-structures under high...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2013-01-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.16.33602 |