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The immense interest in carbon nanomaterials continues to stimulate intenseresearch activities aimed to realize carbon nanowires, since linear chains ofcarbon atoms are expected to display novel and technologically relevantoptical, electrical and mechanical properties. Although various allotropes ofcarbon (e.g., diamond, nanotubes, graphene, etc.) are among the best knownmaterials, it remains challenging to stabilize carbon in the one-dimensionalform because of the difficulty to suitably saturate the dangling bonds ofcarbon. Here, we show through first-principles calculations that orderedpolymeric carbon chains can be stabilized in solid Li$_2$C$_2$ under moderatepressure. This pressure-induced phase (above 5 GPa) consists of parallel arraysof twofold zigzag carbon chains embedded in lithium cages, which display ametallic character due to the formation of partially occupied carbon lone-pairstates in \emph{sp}$^2$-like hybrids. It is found that this phase remains themost favorable one in a wide range of pressure. At extreme pressure (larger the215 GPa) a structural and electronic phase transition towards an insulatingsingle-bonded threefold-coordinated carbon network is predicted.

Polymeric forms of carbon in dense lithium carbide