Gallium oxide–metal interfaces: insights from density functional theory and photodetection performance evaluation

Gallium oxide (Ga _2 O _3 ), a wide bandgap semiconductor of the fourth generation, shows great potential for advanced optoelectronic applications. While β- Ga _2 O _3 -based photodetectors (PDs) have been extensively studied, research on α- Ga _2 O _3 -based PDs remains scarce. This work investigat...

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Bibliographic Details
Main Authors: Hong Hai Nguyen, Minh Do Dang, Le Manh An Nguyen, Mai Khanh Pham, Si-Young Bae, Minh-Tan Ha
Format: Article
Language:English
Published: IOP Publishing 2025-01-01
Series:Materials Research Express
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Online Access:https://doi.org/10.1088/2053-1591/adc3ed
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Summary:Gallium oxide (Ga _2 O _3 ), a wide bandgap semiconductor of the fourth generation, shows great potential for advanced optoelectronic applications. While β- Ga _2 O _3 -based photodetectors (PDs) have been extensively studied, research on α- Ga _2 O _3 -based PDs remains scarce. This work investigates the structural, electronic, and performance characteristics of α- Ga _2 O _3 -based metal-semiconductor–metal (MSM) PDs. Using first-principles calculations within the GGA+U framework, it was found that Al(111) and Ni(111) electrodes interfacing with α- Ga _2 O _3 (0001) experience tensile and compressive strain, respectively. The bandgaps of bulk α- Ga _2 O _3 were calculated as 5.30 eV (direct) and 5.17 eV (indirect), with negligible metal-induced gap states (MIGS) beyond the sixth Ga layer. The electron affinity of α- Ga _2 O _3 is 4.31 eV, and the Schottky barrier heights for Ga _2 O _3 /Al and Ga _2 O _3 /Ni interfaces are 0.046 eV and 0.650 eV, respectively. Experimentally, symmetric MSM PDs were fabricated using mist-CVD for the epitaxial α- Ga _2 O _3 layer and thermal evaporation for Al and Ni electrodes. The epitaxial layer demonstrated an optical bandgap of 5.247 eV. The PDs exhibited low dark current, with Al-electrode devices achieving a higher photo-to-dark current ratio compared to Ni-electrode devices. Peak photoresponse was observed around 230 nm, with smaller finger gaps and more electrode gaps enhancing performance. This study provides valuable insights into the interfacial properties and design optimization of α- Ga _2 O _3 -based PDs, demonstrating their potential for deep-ultraviolet optoelectronic applications.
ISSN:2053-1591