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VOLUME 92 | ISSUE 5 | PAGE 390
Metallic Beta-Phase Silicon Nanowires: Structure and Electronic Properties
Abstract
Electronic band structure and energetic stability of two types of <110> and <001> oriented silicon nanowires in β-Sn phase with the surface terminated by hydrogen atoms were studied using density functional theory. It was found that β-Sn nanowires are metastable with zero band gap against to nanowires in diamond phase. The relative energy of the studied wires tends to the energy of the bulk silicon crystal in β-Sn phase.