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정교화된 베케-존슨 교환 포텐셜 모델 기반의 제일원리 시뮬레이션을 통한 인장력이 가해진 Si<SUB>1-x</SUB>Ge<SUB>x</SUB>의 물성 분석
이해창(Lee Haechang),조용범(Yongbeom cho),정영훈(Yung Hun Jung),조성재(Seongjae Cho) 대한전자공학회 2018 대한전자공학회 학술대회 Vol.2018 No.6
In recent days, there have been efforts to employ Ge into Si for improved electrical and optical performances. In particular, as one of the functional materials for CMOS extension, Ge is gaining popularity, which is explicitly revealed in the most recent semiconductor technology roadmaps. Tensile strain on Si is intentionally scheme by employing Ge atoms into the Si matrix for higher carrier mobilities. In this study, a series of atomic-level simulations have been conducted in consideration of the modified Becke-Johnson (mBJ) model for extract the bandgap energies and tensile strains in the SiGe alloy. It is found that the determination of conduction band minimum is turned from △valley to L valley at 77.5% of Ge fraction in the SiGe alloy. Further study demonstrates that SiGe under proper amount of tensile strain transits from indirect-bandgap material to direct-bandgap one.