Metal–oxide–semiconductor capacitors formed by oxidation of polycrystalline silicon on SiC

Tan, Jianjun; Das, Mrinal K.; Cooper, James A.; Melloch, M. R.

doi:10.1063/1.119262

Cited by 97 publications

(71 citation statements)

References 17 publications

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“…The presence of a third element, however, namely C, results in a wide range of phenomena that do not occur in the Si-SiO 2 system. In particular, oxidation of SiC entails the production of CO which effuses through the oxide [1,2]. Afanas'ev et al have suggested that carbon clusters at and near the interface form during oxidation [3,4], but the structure and dynamics of these clusters has not been established.…”

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Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

et al. 2001

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Oxidation of SiC produces SiO2 while CO is released. A 'reoxidation' step at lower temperatures is, however, necessary to produce high-quality SiO2. This step is believed to cleanse the oxide of residual C without further oxidation of the SiC substrate. We report first-principles calculations that describe the nucleation and growth of O-deficient C clusters in SiO2 under oxidation conditions, fed by the production of CO at the advancing interface, and their gradual dissolution by the supply of O under reoxidation conditions. We predict that both CO and CO2 are released during both steps.PACS numbers: 68.55. Ln, 68.35.Dv The most significant property of semiconductors is their ability to sustain heterogeneous n-type and p-type doping. This property, however, is eroded by high temperatures and high voltages that cause intrinsic excitation of electron-hole pairs across the band gap. As a result, semiconductors with significantly larger band gaps than silicon have been investigated as candidates for electronic devices suitable for high temperatures and high voltages. Silicon carbide is a particularly attractive candidate because its native oxide is SiO 2 which works so well as a dielectric in Si-based microelectronics. The presence of a third element, however, namely C, results in a wide range of phenomena that do not occur in the Si-SiO 2 system. In particular, oxidation of SiC entails the production of CO which effuses through the oxide [1,2]. Afanas'ev et al. have suggested that carbon clusters at and near the interface form during oxidation [3,4], but the structure and dynamics of these clusters has not been established. Lipkin and Palmour found that, after oxidation, a 'reoxidation' step is necessary to produce high-quality oxides and SiC-SiO 2 interfaces [5,6]. During this step, oxygen is supplied as during oxidation, but the temperature is lowered so that no further oxidation takes place. In contrast, post-oxidation heat treatment without the supply of O leads to an increase of charged defects in the oxide [7]. It is believed that the 'reoxidation' step cleanses the interface and bulk SiO 2 of residual carbon [3]. Duscher et al. recently presented direct experimental evidence for the existence of carbon in as-grown samples and its removal after reoxidation [8].The nucleation and growth of impurity clusters in semiconductors is a generic problem for which totalenergy calculations are well suited to provide detailed information. In this Letter we present the results of extensive first-principles density-functional calculations that allow us to give a detailed account of the nucleation and growth of O-deficient carbon clusters in SiO 2 during oxidation conditions and their dissolution during reoxidation conditions. Basically, a CO molecule, generated at the advancing interface and diffusing through the oxide, can bind weakly to an O site in the SiO 2 network. A second CO molecule, however, can bind to the first and the new complex is very stable. Additional CO molecules can extend the cluster. The process is ...

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“…We assume that the advancing interface during oxidation emits CO molecules, as found in Refs. [1] and [2], and explore the possible reactions that CO molecules can undergo in the SiO 2 matrix. A perfectly bonded network without any defects is first considered.…”

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Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

et al. 2001

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“…This would correspond to a higher density of interface states and thus to lower mobility as observed in experiments. [1][2][3][4][5] On the other hand, for energies close to the valence-band edge the DOS could be higher or lower for 4H-SiC than for 6H-SiC. For example, if the 6H-SiC is terminated by the carbon atom labeled C͑2͒ ͑see Figs.…”

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“…However, the SiC-SiO 2 interface does not have the desirable properties that characterize the Si-SiO 2 interface: the electron mobility in 4H-SiC layers adjacent to the interface is about two orders of magnitude smaller than that in the bulk. [1][2][3][4][5] The density of states ͑DOS͒ at the interface between SiC and SiO 2 is found to be much higher than the corresponding DOS at the Si-SiO 2 interface. [1][2][3][4][5] Moreover, different polytypes show unusual mobilities with respect to their bulk counterparts.…”

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confidence: 99%

“…[1][2][3][4][5] The density of states ͑DOS͒ at the interface between SiC and SiO 2 is found to be much higher than the corresponding DOS at the Si-SiO 2 interface. [1][2][3][4][5] Moreover, different polytypes show unusual mobilities with respect to their bulk counterparts. In particular, the n-channel mobilities for inversion MOSFETs are higher for 6H-SiC than for 4H-SiC, even if 6H-SiC has lower bulk carrier mobility.…”

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Can we make the SiC–SiO2 interface as good as the Si–SiO2 interface?

Ventra

2001

Applied Physics Letters

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Energetic and Electronic Structure of the Hypothetical Cubic Zincblende-Like Semiconductors GeC and SnC

Benzair¹,

Aourag

2002

phys. stat. sol. (b)

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Subject classification: 61.50. Ah; 71.15.Ap; 71.15.Mb; 71.20.Nr First-principles all-electron total-energy calculations of the structural and electronic properties for the group-IV zincblende-like compounds GeC, SnC using the full-potential linearized plane wave (FP-LAPW) approach within the density functional theory (DFT) in the local density approximation (LDA) and the generalized gradient approximation (GGA) are presented. We have investigated the electronic properties and it is found that GeC like SiC, is a wide band gap semiconductor with an indirect band gap. We have also studied the effects of expansion of the lattice on bandedge levels in these compounds. The effects of different forms of the correlation energy functional on the results are also discussed. The results are compared with the few existing measurements and other theoretical calculations.

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Metal–oxide–semiconductor capacitors formed by oxidation of polycrystalline silicon on SiC

Cited by 97 publications

References 17 publications

Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

Atomic-Scale Dynamics of the Formation and Dissolution of Carbon Clusters in SiO2

Can we make the SiC–SiO2 interface as good as the Si–SiO2 interface?

Energetic and Electronic Structure of the Hypothetical Cubic Zincblende-Like Semiconductors GeC and SnC

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