Electronic structure of Li 12 Si 7

  • Leuken H
  • de Wijs G
  • van der Lugt W
  • et al.
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Abstract

Ab initio localized-spherical-wave calculations on crystalline Li 12 Si 7 are reported. The crystal consists of two one-dimensional units, (Li 6 Si 5 ) ∞ and (Li 12 Si 4 ) ∞ , that contain five-membered Si rings and four-membered Si stars, respectively. In the density of states the region

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Leuken, H. van, de Wijs, G. A., van der Lugt, W., & Groot, R. A. de. (1996). Electronic structure of    Li  12        Si  7. Physical Review B, 53(16), 10599–10604. https://doi.org/10.1103/physrevb.53.10599

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