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- 저자 : S. Dilmi (검색결과 1 건)
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Band structure, electron-phonon interaction and superconductivity of yttrium hypocarbide
S. Dilmi,S. Saib,N. Bouarissa 한국물리학회 2018 Current Applied Physics Vol.18 No.11
Band parameters and superconductivity of yttrium hypocarbide (Y2C) have been investigated. The computations are performed using first-principles pseudopotential method within a generalized gradient approximation. The equilibrium lattice parameters have been determined and compared with experiment. Moreover, the material of interest is found to be stiffer for strains along the a-axis than those along the c-axis. A band-structure analysis of Y2C implied that the latter has a metallic character. The examination of Eliashberg Spectral Function indicates that Y-related phonon modes as well as C-related phonon modes are considerably involved in the progress of scattering of electrons. By integrating this function, the value of the average electron-phonon coupling parameter (λ) is found to be 0.362 suggesting thus that Y2C is a weak coupling Bardeen-Copper-Schrieffer superconductor. The use of a reasonable value for the effective Coulomb repulsion parameter (μ* = 0.10) yielded a superconducting critical temperature Tc of 0.59 K which is comparable with a previous theoretical value of 0.33 K. Upon compression (at pressure of 10 GPa) λ and Tc are increased to be 0.366 and 0.89 K, respectively, showing thus the pressure effect on the superconductivity in Y2C. The spin-polarization calculations showed that the difference in the total energy between the magnetic and non-magnetic Y2C is weak.
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