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EPR and ${it ab initio}$ calculation study on the EI4 center in 4$$H$$- and 6$$H$$-SiC

4$$H$$及び6$$H$$-SiC中のEI4センターに関するEPR及び${it ab initio}$計算を用いた研究

Carlsson, P.*; Son, N. T.*; Gali, A.*; 磯谷 順一*; 森下 憲雄; 大島 武; Magnusson, B.*; Janz$'e$n, E.*

Carlsson, P.*; Son, N. T.*; Gali, A.*; Isoya, Junichi*; Morishita, Norio; Oshima, Takeshi; Magnusson, B.*; Janz$'e$n, E.*

六方晶(4$$H$$及び6$$H$$)炭化ケイ素(SiC)中のEI4欠陥中心に関して電子常磁性共鳴(EPR)による評価を行った。高純度半絶縁性のSiCに電子線照射を行い、その後700$$sim$$750$$^{circ}$$Cの熱処理を行うことでEI4欠陥中心が増加することが判明した。$$^{29}$$Si及び$$^{13}$$Cの超微細相互作用を調べ、熱処理によるEPRシグナルの変化量及び異なる炭素空孔型欠陥を考慮した${it ab initio}$ supercell計算の結果、このEI4センターが中性の炭素空孔とシリコンサイトに炭素が入ったアンチサイトと炭素空孔の複合欠陥((V$$_{C}$$-C$$_{Si}$$V$$_{C}$$)$$^{0}$$)であることが同定できた。

Electron Paramagnetic Resonance (EPR) studies of the EI4 center in 4$$H$$- and 6$$H$$-Silicon Carbide (SiC) were carried out. The EI4 center was drastically enhanced in electron-irradiated high-purity semi-insulating materials by annealing at 700-750 $$^{circ}$$C. An additional large-splitting $$^{29}$$Si hf structure and $$^{13}$$C hf lines of the EI4 defect were observed. Comparing the data obtained from the hf interactions and the annealing behavior, and also from ${it ab initio}$ supercell calculations of different carbon-vacancy-related complexes, we propose a complex between a carbon vacancy-carbon antisite and a carbon vacancy at the third-neighbor site of the antisite in the neutral charge state, (V$$_{C}$$-C$$_{Si}$$V$$_{C}$$)$$^{0}$$, as a new defect model for the EI4 center.

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パーセンタイル:40.08

分野:Materials Science, Multidisciplinary

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