Enhancing ZnO: A Comprehensive Review of Group-III Element Doping Strategies and Applications

Editorial Board PCSS Journal; С.К. Наяк; П. Патнейк; Д.К. Дас; М. Барал

doi:10.15330/pcss.27.2.227-241

Автор(и)

С.К. Наяк Університет технології та менеджменту Центуріон, Одіша, Індія
П. Патнейк Університет технології та менеджменту Центуріон, Одіша, Індія
Д.К. Дас Університет технології та менеджменту Центуріон, Одіша, Індія
М. Барал Університет технології та менеджменту Центуріон, Одіша, Індія

DOI:

https://doi.org/10.15330/pcss.27.2.227-241

Ключові слова:

ZnO, елементи III групи, ширина забороненої зони, DFT, розрахунки з перших принципів

Анотація

Університет технології та менеджменту Центуріон, Одіша, Індія, padmaja.patnaik@gmail.com

Напівпровідники з широкою забороненою зоною, такі як оксид цинку (ZnO), володіють значним потенціалом для застосування в пристроях накопичення енергії, в оптоелектроніці, газових сенсорах та інших галузях. Однак їх практичне використання часто визначається внутрішніми обмеженнями електропровідності та ширини забороненої зони, що потребує цілеспрямованої модифікації властивостей. Як ефективна стратегія подолання цих обмежень може розглядатися легування елементами III групи. Електронні властивості ZnO, зокрема ширина забороненої зони, густина станів (DOS), часткова густина станів (PDOS), магнітні властивості, а також оптичні характеристики – електропровідність, діелектричні втрати, відбивна здатність, прозорість та поглинання – зазвичай досліджуються методами розрахунків з перших принципів у межах теорії функціоналу густини (DFT).

У даній оглядовій статті розглянуто сучасні досягнення у дослідженні ZnO, а також у ZnO, легованому елементами III групи (B, Al, Ga, In). Висвітлено різноманітні перспективні застосування ZnO, зокрема в світлодіодах (LED), газових сенсорах, п’єзоелектричних пристроях та сонячних елементах. Для вивчення структурних, електронних і оптичних властивостей як чистого, так і легованого ZnO було застосовано численні теоретичні підходи з використанням різних наближень.

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