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Heterointerface induced crystallographic transformation:interfacial strain mechanism
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School of Materials Science and Engineering,Central South University,Changsha

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    Abstract:

    Heterointerface induced crystallographic transformation, as a very unique interface phenomenon, has been recently reported in several experiment studies, but its origin has not yet been clarified. In this study, taking the Ni(111)/Fe(110) interface as an exemplary case, we investigate the atomic structures, energetic, and the responsible phase transition mechanism of FCC/BCC heterogeneous interfaces from the first principles. The results predicted the most energy favored structure to be {111}fcc/{110}bcc (K-S). The crystallographic transition occurs only within the near-interface Ni layers. The responsible mechanism is mainly due to interfacial commensuration strains, without involving the change of atom magnetic moments at the interface.

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[Xianda Song, Yong Jiang, Fuhua Cao. Heterointerface induced crystallographic transformation:interfacial strain mechanism[J]. Rare Metal Materials and Engineering,2019,48(5):1573~1578.]
DOI:10.12442/j. issn.1002-185X.20180040

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History
  • Received:January 11,2018
  • Revised:January 11,2018
  • Adopted:March 20,2018
  • Online: June 04,2019
  • Published: