作者: Takamitsu Ishihara , Yasushi Nakasaki , Daisuke Matsushita , Kosuke Tatsumura , Koichi Kato
DOI: 10.1063/5.0005813
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摘要: As the conventional hydrogen-termination method has a limited ability to improve interface quality between SiO2 and its Si substrate, an alternative termination reduce influence of states is necessary. Interface engineering using first-principles calculations suppress proposed based on findings that silicon with dangling bonds their primary origin. First-principles indicate can be terminated oxygen when incorporated into SiO2/Si without additional oxidation, which generates other from appropriate oxygen-anneal process. It experimentally shown such realized in slow low-temperature annealing, oxygen-termination promising for hydrogen termination. The stronger Si–O bond introduced compared Si–H ensures better quality. one atom terminates two atoms, efficiently number defects fluorine mobility degradation due was improved more than because strength Coulomb scattering dipoles reduced heavier mass. Theoretical predictions were verified experiments, indicating under appropriately optimized annealing conditions (speed temperature) candidate by reducing states.