Effects of (Li/Na/K) doping and point defects (VAl, Hi) on the transmission performance and optical properties of AlN
Source abstract
Abstract
The effects of Li/Na/K doping on the photoelectric properties of AlN system have been widely reported to date. However, in the experiment, the H interstitial caused by the metal organic chemical vapor deposition and the vacuum coating method in the AlN system is often neglected, and control the Al vacancy in the experiment accurately is impossible. To solve such problems, the first-principles hybrid functional HSE06 method was used to study the influence of point defects (VAl3–/2–/1–/0, Hi+) and Li/Na/K doping on the transmission performance of the AlN system. Compared with all doped systems, when the total valence state of the Al70KHiN72 system is 4–, the Al70KHiN72 system exhibits magnetic properties, the lowest formation energy, the easiest point defect doping, the largest binding energy, the best thermodynamic stability, and the highest mobility. That is, its transmission performance is the best. The imaginary part of the dielectric function has the strongest peak around 0.12 eV, and the real part of the dielectric function (varepsilon1 (0)) has the largest static permittivity. This finding has a certain theoretical guidance for the experimental design and preparation of new AlN photoelectric functional materials.
Source: expertdata · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: GaN-based semiconductor devices and materials · Ga2O3 and related materials · ZnO doping and properties
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (43)
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