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Strong-coupling electron-phonon superconductivity in noncentrosymmetric quasi-one-dimensional K2Cr3As3

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Subedi,  Alaska
Theory of Complex Materials, Condensed Matter Dynamics Department, Max Planck Institute for the Structure and Dynamics of Matter, Max Planck Society;

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PhysRevB.92.174501.pdf
(出版社版), 470KB

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引用

Subedi, A. (2015). Strong-coupling electron-phonon superconductivity in noncentrosymmetric quasi-one-dimensional K2Cr3As3. Physical Review B, 92(17):. doi:10.1103/PhysRevB.92.174501.


引用: https://hdl.handle.net/11858/00-001M-0000-0029-2D14-7
要旨
I study the lattice dynamics and electron-phonon coupling in noncentrosymmetric quasi-one-dimensional K2Cr3As3 using density functional theory based first principles calculations. The phonon dispersions show stable phonons without any soft-mode behavior. They also exhibit features that point to a strong interaction of K atoms with the lattice. I find that the calculated Eliashberg spectral function shows a large enhancement around 50 cm−1. The phonon modes that show large coupling involve in-plane motions of all three species of atoms. The q dependent electron-phonon coupling decreases strongly away from the qz=0 plane. The total electron-phonon coupling is large, with a value of λep=3.0, which readily explains the experimentally observed large mass enhancement.