Electronic structure and electron-phonon interaction in YAl2Si2

  • Huang G
  • Miao R
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Abstract

We calculate the electronic structure, phonon spectrum and electron-phonon (EP) interaction for YAl2Si2using the full-potential, density-functional-based method. The Y 4d-like band crosses the Fermi level. The main contribution to the density of states (DOS) at the Fermi level comes from Y 4d-states. Our results for the phonon DOS and the Eliashberg spectral function show that in-plane bond-stretching modes have high frequency and couple more strongly to the electrons. Both the calculated EP coupling constant λ (0.31) and the estimated superconducting transition temperature TC(0.15 K with μ*∼ 0.15) are very low in YAl2Si2. The differences of electronic structure, phonon structure and transport behavior between YAl2Si2and CaAl2Si2are discussed. © 2006 Elsevier B.V. All rights reserved.

Author-supplied keywords

  • Electron-phonon coupling
  • Electronic structure
  • Phonon structure
  • Silicide

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