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http://elibrary.kdpu.edu.ua/xmlui/handle/123456789/7081| Назва: | Електронні властивості наноструктур на основі β-Ga2O3 |
| Автори: | Науменко, Марина Валеріївна |
| Ключові слова: | β-Ga2O3 наноструктури функціонал електронної густини псевдопотенціал із перших принципів просторові розподіли густини валентних електронів густини електронних станів ширини валентних і заборонених зон провідність сенсорна чутливість домішки заміщення акцепторний рівень синергетичні властивості |
| Дата публікації: | 2023 |
| Видавництво: | Криворізький державний педагогічний університет |
| Бібліографічний опис: | Науменко М. В. Електронні властивості наноструктур на основі β-Ga2O3 : дисертація на здобуття ступеня доктора філософії за спеціальністю 104 Фізика та астрономія (Фізика конденсованого стану) / наук. керівник - д-р фіз.-мат. наук, проф. Р. М. Балабай ; Криворізький державний педагогічний університет. Кривий Ріг, 2023. 174 с. |
| Короткий огляд (реферат): | Виконано теоретичні розрахунки з використанням функціоналу електронної густини, псевдопотенціалу із перших принципів, власного програмного коду щодо оцінювання електронних властивостей різних наноструктур на основі β-Ga2O3. Визначено керувальні впливи товщини, типу вiльної поверхнi, механiчної дiї стиснення на провiдні властивості надтонких плiвок β-Ga2O3. Встановлено, що плівка з поверхнею (010) товщиною 0,304 нм, яка трактувалася як 2D-об’єкт, у вихідному (нестисненому) стані має величину забороненої зони майже в п’ять разів більше, ніж у масивного кристалу β- Ga2O3. Плівка з неплоскою поверхнею (100) товщиною 1,29 нм під час стиснення до 30 % має величину забороненої зони, що рівна нулеві. Під час стиснення надтонких плівок утворюються орієнтаційні дефекти хімічних зв’язків, що проявляються в різкій та немонотонній зміні ширин електронних заборонених зон. Досліджено сенсорну чутливість наночастинок β-Ga2O3 різних форм (сферичної та призмоподібної) до газових молекул CO, NH3, O3, що локалізувалися або поблизу атомів Ga чи О. Встановлено, що наночастинки обох форм можуть служити ефективними резистивними детекторами молекул CO і NH3. Більш яскрава реакція на молекули СО була зафіксована у сферичної частинки, а щодо молекул NH3 – у призмоподібної частинки. Проте активна ділянка наночастинок, як детекторів локалізувалася біля атомів Ga. На молекули О3 ефективно реагували тільки сферичні наночастинки, збільшуючи свою провідність. Встановлено синергетичні властивості масивів нанодротів на основі β- Ga2O3 за допомогою визначення ступеня впливу дротів один на одного залежно від геометричних параметрів їх взаємного розташування в масиві й електронні характеристики масиву дротів як єдиного цілого. Масиви дротів β-Ga2O3 циліндричної форми і більшого діаметра виявляють більш контрольовані та фізично аргументовані синергетичні електронні характеристики, ніж масиви дротів циліндричної форми меншого діаметра та призмоподібної форми. Оцінено ефективність легування р-типу нанооб’єктів на основі β-Ga2O3 різними металами та неметалами. Вказано перспективні домішки р-типу: атоми двовалентних металів – Mg, Ca, Zn, що заміщують атоми галію та атоми неметалу N, що заміщують різно позиційовані атоми кисню. |
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| URI (Уніфікований ідентифікатор ресурсу): | http://elibrary.kdpu.edu.ua/xmlui/handle/123456789/7081 https://doi.org/10.31812/123456789/7081 |
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