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Evgenia, A Kovaleva
Alexander, A Kuzubov
Pavel, V Avramov
Anastasia, S Kholtobina
Artem, V Kuklin
Felix, N Tomilin
Pavel, B Sorokin
2019-07-01T07:27:10Z
2019-07-01T07:27:10Z
2017-11
Evgenia, A Kovaleva. A key role of tensile strain and surface termination in formation and properties of La0. 7Sr0. 3MnO3 composites with carbon nanotubes [Текст] / A Kovaleva Evgenia, A Kuzubov Alexander, V Avramov Pavel, S Kholtobina Anastasia, V Kuklin Artem, N Tomilin Felix, B Sorokin Pavel // Computational Materials Science. — 2017. — Т. 139. — С. 125-131
09270256
https://www.sciencedirect.com/science/article/pii/S0927025617303828
https://elib.sfu-kras.ru/handle/2311/110909
Atomic and electronic structure of LSMO-based composites with carbon nanotubes were studied by means of density functional theory with respect to the termination of LSMO surface. The deformation of the tubes caused by the lattice mismatch with the substrate leads to a major change in their electronic structure. The surface terminated with Mn-O layer provides much stronger interaction with carbon nanotubes than Sr-O terminated one does. The interaction with transition metal atoms is essential for spin polarization of the nanotube while no spin injection was observed for Sr-O-supported tubes.
LSMO
DFT
spin polarization
A key role of tensile strain and surface termination in formation and properties of La0. 7Sr0. 3MnO3 composites with carbon nanotubes
Journal Article
Journal Article Preprint
125-131
29.19.22
2019-07-01T07:27:10Z
10.1016/j.commatsci.2017.07.021
Научно-исследовательская часть
Computational Materials Science
Q1
Q2


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