2007
DOI: 10.1063/1.2732414
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Electronic structure of 3C inclusions in 4H SiC

Abstract: The band gap, the polarization, and the quantum well states for 3C inclusions in 4H SiC are studied in a systematic way with inclusions of 2-10 cubic layers in a supercell of 12 layers of 4H SiC. The polarization is strongly reduced by screening and correspondingly the effective band gap of the 3C quantum well in a 4H system is never smaller than that of pure 3C. To explain the observation of below 3C gap luminescence in such systems, an increase in exciton binding energy must be invoked.

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Cited by 23 publications
(22 citation statements)
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References 31 publications
(15 reference statements)
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“…However, stresses in SiC PiN diodes are negligible and an alternative driving force must be responsible in this case. In the absence of shear stress, a plausible driving force for SF expansion is an electronic one suggested by Miao et al 12–14. This can be understood from First Principles calculations of these authors, together with density functional supercell calculations of Lindefelt et al 15, 16, who determined the energy levels of multilayer SFs in 4H‐SiC.…”
Section: Discussionmentioning
confidence: 98%
“…However, stresses in SiC PiN diodes are negligible and an alternative driving force must be responsible in this case. In the absence of shear stress, a plausible driving force for SF expansion is an electronic one suggested by Miao et al 12–14. This can be understood from First Principles calculations of these authors, together with density functional supercell calculations of Lindefelt et al 15, 16, who determined the energy levels of multilayer SFs in 4H‐SiC.…”
Section: Discussionmentioning
confidence: 98%
“…This simplifies the computation and corresponds to the complete screening approximation of Ref. [21]. From the TMM, we compute the radiative recombination energy for different thicknesses of the 4H barrier in between the two 3C QWs.…”
Section: Model Calculation and Discussionmentioning
confidence: 99%
“…16,17 The fact that IGSFs associated with surface triangular defects ͑defect 5 in Fig. 1͒ have excitonic gaps similar to bulk 3C-SiC can be understood from recent computational studies, 15,18 which show that with increasing number of stacked 3C layers in a heteropolytype structure 4H / QW/ 4H, the SF gap approaches that of the bulk 3C-SiC polytype.…”
Section: Cathodoluminescence Study Of the Properties Of Stacking Faulmentioning
confidence: 96%