Theoretical Investigation of Optoelectronic Devices Based on the ZnO Material System

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Objectives - The objectives of this effort are to:− Develop a comprehensive numerical simulation model for the ZnO material system to be used for the design and optimization of electronics, optoelectronics and nano-mechanical devices.− Design and assess the performance of technologically relevant optoelectronics and photonics devices, in particular light emitters, where the use of the ZnO material system can radically transform the design process, device structure and performance.− Exploit the opportunities provided by the nanostructures unique to this system to investigate novel optoelectronics, photonics and nano-mechanical devices, in particular, sensors.Intellectual Merit − The intellectual merit of this effort is the enhancement of the modeling of ZnO and its compounds by laying the foundation for a comprehensive understanding of the physics of this semiconductor material system and providing state of the art numerical simulation techniques for device design and optimization. The prediction of material and device properties of other semiconductors using first principles numerical simulations will also be significantly improved. Broader impact − The broader impacts of this program could include transforming the design and fabrication of ZnO based UV emitters, making them very efficient and low cost. The efficiency of white light emitters for solid state lighting would also significantly increase. The nanostructures unique to this material system could make it possible to design light emitters and sensors where mechanical, optical and electrical functions are integrated in the same device. These new applications could have a significant impact on energy management, bioengineering and environmental monitoring with important societal benefits.