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Nisar Muhammad, M. Usman Muzaffar, Huimin Li, Zejun Ding. Optoelectronic Properties of Ultra-wide-bandgap Semiconductor NaYO2: A First-principles Study[J]. Chinese Journal of Chemical Physics .
Citation: Nisar Muhammad, M. Usman Muzaffar, Huimin Li, Zejun Ding. Optoelectronic Properties of Ultra-wide-bandgap Semiconductor NaYO2: A First-principles Study[J]. Chinese Journal of Chemical Physics .

Optoelectronic Properties of Ultra-wide-bandgap Semiconductor NaYO2: A First-principles Study

  • Received Date: 2021-04-29
  • Accepted Date: 2021-05-07
  • Rev Recd Date: 2021-05-06
  • Available Online: 2021-05-26
  • Ultra-wide-bandgap semiconductors have tremendous potential to advance electronic devices, as device performance improves nonlinearly with increasing gap. In this work we employ density-functional theory with the accurate screened-hybrid functional to evaluate the electronic and optical properties of NaYO2 in two different phases. The electronic structure calculation results show that both monoclinic and trigonal phases of NaYO2 exhibit direct bandgaps of 5.6 and 5.4 eV, respectively, offering a physically realistic material platform to derive the semiconductor industry beyond the well-established diamond, and GaN semiconducting materials. Next, we investigate the optical properties and reveal that both phases of NaYO2 are transparent in the infrared and visible regions, thereby, these materials can be used as infrared window materials.

     

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      沈阳化工大学材料科学与工程学院 沈阳 110142

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