Erratum: “Silicon oxycarbide formation on SiC surfaces and the SiC/SiO2 interface” [J. Vac. Sci. Technol. A <b>15</b>, 1597 (1997)]

Önneby, C.; Pantano, C. G.

doi:10.1116/1.581411

Cited by 47 publications

(81 citation statements)

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“…The calculated core-level shifts range from 2.21 to 2.56 eV with an average value of 2.38 eV, which is underestimated compare to the corresponding experimental value (about 2.7 eV). 32 These results indicate that various SiC x O y species are present in the transition layer. Another kind of defect configuration, small aggregation of carbon atoms such as a carbon dimer and a carbon trimer, is also observed in the interfacial transition layer.…”

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 71%

“…We therefore argue that the interval may arise from the small difference between the tetrahedral SiC 3 O configurations in terms of bond angles because the core-level shifts are rather insensitive to the bond angle. 32 This difference may be attributed to the reference value for the core-level shifts not being equal to the true bulk value. We also take into account the Si 4+ oxidation states.…”

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

“…Previous studies 32,33,36,37 have indicated that the transition layer at the SiO 2 /SiC interface consists of various SiC x O y species. These suboxide species can be distinguished by calculating the Si 2p core level shifts.…”

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

“…For Si 1+ oxidation states (SiC 3 O), the calculated core-level shifts range from 0.38 to 0.72 eV, with an average value of 0.54 eV, which is close to the experimental peak of the SiC 3 O species (about 0.69 eV). 32 It indicates that the SiC 3 O species is present in our interface model. In addition, the calculated core-level shifts show a significant interval.…”

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

“…31 Using X-ray photoelectron spectroscopy (XPS), Önneby and Pantano confirmed that silicon oxycarbide (SiC x O y ) species were formed in the vicinity of the SiO 2 /SiC interface when SiC materials were exposed to oxygen. 32 To understand the structural and chemical characteristics of the interfacial transition layer, our group performed angle-dependent XPS measurements on the thermally grown SiO 2 /SiC interface, and revealed distributions of various SiC x O y species at the interface. 33 However, the contribution of an interfacial transition layer to interface states remains still controversial.…”

Section: Introductionmentioning

confidence: 99%

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Structural and electronic properties of the transition layer at the SiO2/4H-SiC interface

Zhao

Wang

2015

AIP Advances

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Using first-principles methods, we generate an amorphous SiO2/4H-SiC interface with a transition layer. Based this interface model, we investigate the structural and electronic properties of the interfacial transition layer. The calculated Si 2p core-level shifts for this interface are comparable to the experimental data, indicating that various SiCxOy species should be present in this interface transition layer. The analysis of the electronic structures reveals that the tetrahedral SiCxOy structures cannot introduce any of the defect states at the interface. Interestingly, our transition layer also includes a C-C=C trimer and SiO5 configurations, which lead to the generation of interface states. The accurate positions of Kohn-Sham energy levels associated with these defects are further calculated within the hybrid functional scheme. The Kohn-Sham energy levels of the carbon trimer and SiO5 configurations are located near the conduction and valence band of bulk 4H-SiC, respectively. The result indicates that the carbon trimer occurred in the transition layer may be a possible origin of near interface traps. These findings provide novel insight into the structural and electronic properties of the realistic SiO2/SiC interface.

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Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 71%

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

Section: A Composition Of the Interfacial Transition Layermentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Structural and electronic properties of the transition layer at the SiO2/4H-SiC interface

Zhao

Wang

2015

AIP Advances

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Ab initio Calculation on Atomic Structure and Charge Transfer of Silicon Oxycarbide (SiOxCy) at the SiC/SiO2 Interface

Wang¹,

Pantano

Annett

1999

phys. stat. sol. (b)

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The atomic structure and structural stabilities of silicon oxycarbide SiOxCy phase formed at the SiC/SiO2 interface were studied using ab initio pseudopotential method. The total energies and the cohesive energies of the SiOxCy at different composition: SiC, SiO1/4C3/4, SiO1/2C1/2, SiO3/4C1/4, SiO2, SiO5/3C1/3, SiO4/3C2/3, SiOC, SiO2/3C4/3 and SiO1/3C5/3 were calculated at zero temperature by relaxing the local atomic positions. The SiOxCy phase showed a structural preference to the SiC‐like structure when carbon/oxygen (C/O) composition ratio was greater than unity (i.e., y > x), and to the SiO2‐like structure when the ratio was less than unity (i.e., y < x). The charge distribution on atoms (Si, C and O) were calculated and it was found that electrons were transferred from Si to C with less amount than to O.

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Ab initio Calculation on Atomic Structure and Charge Transfer of Silicon Oxycarbide (SiOxCy) at the SiC/SiO2 Interface

Wang¹,

Pantano

Annett

1999

phys. stat. sol. (b)

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The atomic structure and structural stabilities of silicon oxycarbide SiO x C y phase formed at the SiC/SiO 2 interface were studied using ab initio pseudopotential method. The total energies and the cohesive energies of the SiO x C y at different composition: SiC/3 were calculated at zero temperature by relaxing the local atomic positions. The SiO x C y phase showed a structural preference to the SiC-like structure when carbon/oxygen (C/O) composition ratio was greater than unity (i.e., y > x), and to the SiO 2 -like structure when the ratio was less than unity (i.e., y < x). The charge distribution on atoms (Si, C and O) were calculated and it was found that electrons were transferred from Si to C with less amount than to O.

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Erratum: “Silicon oxycarbide formation on SiC surfaces and the SiC/SiO2 interface” [J. Vac. Sci. Technol. A 15, 1597 (1997)]

Cited by 47 publications

References 0 publications

Structural and electronic properties of the transition layer at the SiO2/4H-SiC interface

Structural and electronic properties of the transition layer at the SiO2/4H-SiC interface

Ab initio Calculation on Atomic Structure and Charge Transfer of Silicon Oxycarbide (SiOxCy) at the SiC/SiO2 Interface

Ab initio Calculation on Atomic Structure and Charge Transfer of Silicon Oxycarbide (SiOxCy) at the SiC/SiO2 Interface

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