Theoretical study of graphitic analogues of simple semiconductors

The stability of the aromatic phase of two-dimensional monolayers of BN, C, Si, GaAs, and SiC is theoretically investigated using an nb initio tight-binding-like method. It is found that BN, C, and SIC prefer to form the hat aromatic phase while Si and GaAs prefer to pucker, although Si is found to be a borderline case. From a simple qualitative picture, we can understand this behaviour as a consequence of the different bond lengths, where longer bond lengths give rise to puckered structures. On the other hand, 'compressing chemically' by alloying, which shortens the bond, may allow the state of the system to change from puckered to flat and vice versa.