Journal
EPL
Volume 97, Issue 5, Pages -Publisher
EPL ASSOCIATION, EUROPEAN PHYSICAL SOCIETY
DOI: 10.1209/0295-5075/97/56004
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Funding
- Science and Technology Commission of Shanghai Municipality [10ZR1415800]
- Shanghai Pujiang Program [10PJ1405900]
- National Natural Science Foundation of China [51001073]
- State Key Development Program for Basic Research of China [2011CB610405]
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The dynamical stability of iron under high-temperature and high-pressure conditions was investigated based on the phonons evaluated by using a recently developed method. It is revealed that both the fcc-Fe and the hcp-Fe are dynamically stable in a wide temperature and pressure range. The bcc-Fe phase can be stable as well, while in a limited temperature/pressure regime bounded by a dynamical stability limit and a harmonic limit. Direct evidence shows that it is the entropy term that plays a critical role in stabilizing the bcc-Fe under high-temperature and high-pressure conditions. editor's choice Copyright (C) EPLA, 2012
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