A theoretical study of the smallest tetrahedral carbon schwarzites

We present a tight-binding molecular-dynamics investigation on the structural, elastic and electronic properties of the smallest periodic tetrahedral carbon schwarzites fcc-(C-28)(2), fcc-(C-36)(2) and fcc-(C-40)(2). Although their unit cells are equivalent to the fullerenes C-20, C-28 and C-32, respectively, their stability is found to be much higher. Moreover they present alternatively metallic or insulating character, which would make this class of hypothetical materials suitable to a wide range of applications.