Intrinsic origin of electron scattering at the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mn>4</mml:mn><mml:mi>H</mml:mi></mml:mrow></mml:math>-SiC(0001)/<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi mathvariant="normal">SiO</mml:mi><mml:mn>2</mml:mn></mml:msub></mml:math>interface

Iwase, Shigeru; Kirkham, Christopher; Ono, Tomoya

doi:10.1103/physrevb.95.041302

Cited by 13 publications

(14 citation statements)

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“…2(d). In addition, it has been reported that, in the case of the three-bridging-bond structure, the floating states lying just beneath the interface causes scattering of the electrons flowing along the interface [17,18] We found that the floating states do not appear directly beneath the interface in the case of the one-bridging-bond structure. This will aid future work in determining the causes of the low carrier mobility of SiC-MOSFETs.…”

Section: Discussionmentioning

confidence: 63%

“…This behavior at the CBE is not observed in the case of the Si/SiO 2 interface [40,41]. In addition, first-principles electron-transport calculations using nonequilibrium Green's function method revealed [19][20][21] that floating states for the three-bridging-bond structure with the h type interface causes carrier scattering at the 4H -SiC(0001)/SiO 2 interface [18]. On the other hand, the one-bridging-bond structure shows different floating state behavior near the interface as shown in Figs.…”

Section: Fig 4 Cross-sectional Plots Of Stem Images Along (A) F-f'mentioning

confidence: 93%

“…It is also found that the SiO 2 immediately above the interface is similar to the β-tridymite or β-cristobalite phase in both the one-bridging-bond and three-bridging-bond structures. Moreover, in a previous study, we reported that the existence of the floating states lying at the conduction band edge (CBE) of the three-bridging-bond structure degrades the transmission probability of the conducting electrons [17,18] by first-principles electron-transport calculation [19][20][21]. Interestingly, it is found that the floating states do not appear at the CBE of the one-bridging-bond structure, and the absence of the floating states is explained by the strong electronegativity of O atoms at the interface.…”

Section: Introductionmentioning

confidence: 99%

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Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

et al. 2017

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Density functional theory calculations are carried out to investigate the atomic and electronic structures of the 4H -SiC(0001)/SiO 2 interface. We find two characteristic interface atomic structures in scanning transmission electron microscopy images: One is an interface in which the density of atoms at the first interfacial SiC bilayer is greater than that in the SiC substrate, while the other is an interface where the density of atoms at the first interfacial SiC bilayer is lower. Density functional theory calculations reveal that the difference in the scanning transmission electron microscopy images is a reflection of the atomic structures of these two interfaces. In addition, it has been reported that the floating states, which appear at the conduction band edge of a 4H -SiC(0001)/SiO 2 interface, affect the electronic structure of the interface and cause marked scattering of the electrons flowing along the interface [S. Iwase, C. J. Kirkham, and T. Ono, Phys. Rev. B 95, 041302(R) (2017)]. Interestingly, we find that the floating states do not appear at the conduction band edge of one of the two interfaces. These results provide physical insights into understanding and controlling the electronic structure and carrier mobility of electronic devices using wide-band-gap semiconductors.

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Section: Discussionmentioning

confidence: 63%

Section: Fig 4 Cross-sectional Plots Of Stem Images Along (A) F-f'mentioning

confidence: 93%

Section: Introductionmentioning

confidence: 99%

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Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

et al. 2017

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“…To solve it, a lot of theoretical and experimental efforts have been done: Reported candidates for the Dit or NIT are carbon clusters [7][8][9][10][11][12][13][14][15][16][17][18] , oxygen interstitials 19,20 , stacking faults 21 , silicon interstitials in SiO 2 22,23 , SiC distortion induced by SiO 2 13,24 , and intrinsic defects of SiO 2 25 .…”

Section: Introductionmentioning

confidence: 99%

Structural stability and energy levels of carbon-related defects in amorphous SiO₂ and its interface with SiC

Matsushita

Oshiyama

2018

Jpn. J. Appl. Phys.

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We report the density-functional calculations that systematically clarify the stable forms of carbon-related defects and their energy levels in amorphous SiO2 using the melt-quench technique in molecular dynamics. Considering the position dependence of the O chemical potential near and far from the SiC/SiO2 interface, we determine the most abundant forms of carbon-related defects: Far from the interface, the CO2 or CO in the internal space in SiO2 is abundant and they are electronically inactive; near the interface, the carbon clustering is likely and a particular mono-carbon defect and a di-carbon defect induce energy levels near the SiC conduction-band bottom, thus being candidates for the carrier traps.

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“…8) The origin of those interface states has been widely believed to be carbon-related defects. 3,5,[9][10][11][12][13][14][15][16][17][18] Actually, a recent experimental work based on secondary ion mass spectrometry (SIMS) has shown evidence of carbon defects generated at an as-oxidized SiO 2 =SiC interface. 11) These carbon defects are reduced by a subsequent phosphorus treatment, 11) which may lead to the reduction of interface states (passivation of defect levels).…”

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confidence: 99%

Microscopic mechanism of carbon annihilation upon SiC oxidation due to phosphorus treatment: Density functional calculations combined with ion mass spectrometry

Kobayashi¹,

Matsushita²,

Okuda³

et al. 2018

Appl. Phys. Express

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We report first-principles static and dynamic calculations that clarify the microscopic mechanism of carbon annihilation due to phosphorous treatment upon oxidation of silicon carbide (SiC). We identify the most stable form of the phosphorus (P) in the oxide as the four-fold coordinated with the dangling PO unit and find that the unit attracts carbon ejected from the interface, thus operating as a carbon absorber. This finding provides a microscopic reasoning for the first time for the promotion of the oxidation reaction on one hand and the annihilation of the C-related defects at the interface on the other. Secondary ion mass spectrometry measurements are also performed and the obtained carbon profile corroborates the theoretical finding above. 2The interface of a condensed matter and its oxidized film usually formed by the oxidation is ubiquitous in nature and provides an important stage in both science and technology. In semiconductor devices, for instance, the interface becomes a channel for the electric current and the band offset at the interface allows the gate controllability of the transistor action [1]. Hence the identification of the atomic structure and the clarification of its electronic functionality of the interface are challenging and demanded in nanoscience and technology.An example which has been insufficiently investigated in spite of its importance is the interface of silicon carbide (SiC) and silicon dioxide (SiO2). SiC is a candidate material for the sustainable power electronics in future due to its superior properties such as wide bandgap, high critical electric field and low intrinsic carrier concentration [2,3]. The additional but important advantage of SiC is that SiO2 films formed by the thermal oxidation can be used as gate insulating films in metal-oxide-semiconductor field effect transistors (MOSFETs) [3], ensuring the connectivity with the current Si technology.However, were carbon atoms not annihilated during the oxidation, the SiO2 films would not be realized. The fact is that, although SiC MOSFETs are fabricated, the mobility of the devices is lower than that of SiC bulk by two orders of magnitude [3]. This is certainly due to the interface state density, Dit, which is typically about 10 13 -10 14 cm -2 eV -1 [3,4,5] near the conduction-band edge (EC) of SiC which is higher by more than three orders of magnitude than that in typical SiO2/Si systems

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Intrinsic origin of electron scattering at the4H-SiC(0001)/SiO2interface

Cited by 13 publications

References 40 publications

Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

Structural stability and energy levels of carbon-related defects in amorphous SiO₂ and its interface with SiC

Microscopic mechanism of carbon annihilation upon SiC oxidation due to phosphorus treatment: Density functional calculations combined with ion mass spectrometry

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Intrinsic origin of electron scattering at the4H-SiC(0001)/SiO2interface

Cited by 13 publications

References 40 publications

Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

Theoretical and experimental investigation of the atomic and electronic structures at the 4H-SiC(0001)/SiO2 interface

Structural stability and energy levels of carbon-related defects in amorphous SiO2 and its interface with SiC

Microscopic mechanism of carbon annihilation upon SiC oxidation due to phosphorus treatment: Density functional calculations combined with ion mass spectrometry

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Structural stability and energy levels of carbon-related defects in amorphous SiO₂ and its interface with SiC