Native dejects in HfSiO4 are investigated by first principles calculations. Transition levels of native detects can be accurately described by employing the nonlocal HSE06 hybrid functional. This methodology overcomes...Native dejects in HfSiO4 are investigated by first principles calculations. Transition levels of native detects can be accurately described by employing the nonlocal HSE06 hybrid functional. This methodology overcomes the band gap problem in traditional functionals. By band alignments among the Si, GaAs and HfSiO4. we are able to determine the position of defect levels in Si and GaAs relative to the HfSiO4 band gap. We evaluate the. possibility of these defects acting as fixed charge. Native defects lead to the change of valence and conduction band offsets. Gate leakage current is evaluated by the band offset. In addition, we also investigate diffusions of native defects, and discuss how they affect the MOS device performance.展开更多
基金Supported by the Science Foundation from Education Department of Liaoning Province under Grant No L2014445
文摘Native dejects in HfSiO4 are investigated by first principles calculations. Transition levels of native detects can be accurately described by employing the nonlocal HSE06 hybrid functional. This methodology overcomes the band gap problem in traditional functionals. By band alignments among the Si, GaAs and HfSiO4. we are able to determine the position of defect levels in Si and GaAs relative to the HfSiO4 band gap. We evaluate the. possibility of these defects acting as fixed charge. Native defects lead to the change of valence and conduction band offsets. Gate leakage current is evaluated by the band offset. In addition, we also investigate diffusions of native defects, and discuss how they affect the MOS device performance.
