Nanotubes of layered iron-based superconductors: Simulations of atomic structure and electronic properties

作者：Shein I R; Enyashin A N; Ivanovskii A L^*

来源：Computational Materials Science, 2011, 50(3): 824-827.

DOI：10.1016/j.commatsci.2010.10.015

• Nanotubes of layered iron-based superconductors FeSe, LifeAs, SrFe(2)As(2), and LnFeAsO
• Atomic structure and electronic properties
• Ab initio calculations

The atomic models of nanotubes for layered FeSe, LiFeAs, SrFe(2)As(2), and LnFeAsO - the parent phases of so-called 11, 111, 122, and 1111 groups of newly discovered family of iron-based high temperature superconductors are proposed. On example of SrFe(2)As(2) the electronic properties of predicted nanotubes are examined and discussed in comparison with those for the corresponding single layer and the crystal.

• 出版日期2011-1