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...
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| Principais autores: | , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine
2013-01-01
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| coleção: | Condensed Matter Physics |
| Assuntos: | |
| Acesso em linha: | http://dx.doi.org/10.5488/CMP.16.33602 |
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