Numerical evidence of Luttinger liquid to Fermi liquid transformation in lithium doped trans-polyacetylene chain Original Research Article

We report on the first direct numerical evidence of doping-induced transformation of Tomonaga–Luttinger liquid to Fermi liquid in quasi-one-dimensional lithium doped trans-polyacetylene chain. Using density functional theoretical calculation, an analysis of density of states near the Fermi energy reveals a power-law scaling factor of Tomonaga–Luttinger liquid at low dopant concentration in the metallic regime. As soon as the doping level reaches 0.0763e/C, normal power-law scaling factor of Fermi liquid has been realized as a special case of Luttinger liquid in one dimension. The variation of density–density correlation is consistent with the present theoretical prediction.