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Study of the anomalous behavior of the a-HFO2 refractive index with increasing Si doping by quantum molecular dynamics simulationстатья
- Авторы: Sulimov V.B., Kutov D.C., Sulimov A.V., Grigoriev F.V., Tikhonravov A.V.
- Журнал: Journal of the Optical Society of America B: Optical Physics
- Том: 40
- Номер: 10
- Год издания: 2023
- Издательство: Optical Society of America
- Местоположение издательства: United States
- Первая страница: 2643
- Последняя страница: 2649
- Номер статьи: 500520
- DOI: 10.1364/JOSAB.500520
- Аннотация: This paper provides an atomistic exploration of amorphous composite HfO2−SiO2 oxides to explain the experimentally observed anomalous behavior of the refractive index with increasing Si content. We use an approach to obtain amorphous states of high-temperature oxides by melting–quenching the initial HfO2 crystal containing various amounts of Si impurities. The calculations are carried out by quantum molecular dynamics. The coordination numbers of Hf, Si, and O atoms are studied at various doping levels. The change in the atomic structure of a−HfO2 depending on the doping level qualitatively explains the anomalous behavior of the refractive index.
- Добавил в систему: Сулимов Алексей Владимирович