Abstract

A new class of crystalline structures for group-IV materials is proposed. The basic building block for all the new structures is a two-dimensionally ordered slab of atoms which can be stacked together in several distinct ways. The most stable structure obtained in this way has a 20-atom orthorhombic unit cell. For Si, the total energy for this structure is calculated to be \ensuremath{\simeq}30 meV per atom higher, and the atomic density 1.3% lower, than in the diamond structure. Other structures with 16, 18, and 32 atoms per unit cell are constructed and their energetic, atomic, and electronic properties are examined. The 32-atom structure is closely related to the recently discovered allo-Ge phase.

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