Structural transitions in superionic conductors
AbstractAbstract
[en] The αarrow-right-leftß phase transition in AgI is studied with use of the new molecular-dynamics technique which allows for a dynamical variation of the shape and size of the cell. In the present model, upon heating of ß-AgI, the iodine ions undergo a hcp→bcc transformation and silver ions become mobile, whereas the reverse transformation is observed on cooling of α-AgI. The calculated αarrow-right-leftß transition temperature and structural and dynamical properties are in good agreement with experiments
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Journal Article
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Physical Review Letters; ISSN 0031-9007; ; v. 50(14); p. 1073-1076
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