First Principles Investigation on the Modifications of the 4H-SiC Band Structure Due to the $(4,4)$ and $(3,5)$ Stacking Faults

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概要

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• Using first principle calculations, we investigated the energetic and electronic properties of two stacking faults that have been recently identified experimentally in as-grown 4H-SiC homo epitaxial films. We found that both defects generate two separate split-off bands localized below the bottom of the conduction band. The energy of the deepest intra gap state associated with each defect is in excellent agreement with photoluminescence measurements. Furthermore, we calculated formation energies of 0.3 and 2.4 mJ/m2 for the $(4,4)$ and $(3,5)$ defects, respectively, much smaller than the energy of any other stacking fault; this result justifies their dominance in as-grown epilayers.

• 2011-02-25

著者

• Via Francesco

  Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi CNR-IMM, Z. I. VIII Strada 5 I 95121 Catania, Italy

• Magna Antonino

  Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi CNR-IMM, Z. I. VIII Strada 5 I 95121 Catania, Italy

• Camarda Massimo

  Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi CNR-IMM, Z. I. VIII Strada 5 I 95121 Catania, Italy

• La Magna

  Consiglio Nazionale delle Ricerche, Istituto di Microelettronica e Microsistemi CNR-IMM, Z. I. VIII Strada 5 I 95121 Catania, Italy

• Delugas Pietro

  Sardinian Laboratory for Computational Materials Science, National Institute for the Physics of Matter of National Research Council, Monserrato, I 09042 Cagliari, Italy

関連論文

• First Principles Investigation on the Modifications of the 4H-SiC Band Structure Due to the $(4,4)$ and $(3,5)$ Stacking Faults

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