Optimized valence force field model for the lattice properties of non-ideal III-nitride wurtzite materials

Understanding phonon behavior in semiconductors from a topological physics perspective offers opportunities to uncover extraordinary phenomena related to phonon transport and electron–phonon interactions. While various types of topological phonons have been reported in different crystalline solids, their microscopic origins remain quantitatively unexplored. In this study, analytical interatomic force constant (IFC) models are employed for wurtzite GaN and AlN to establish relationships between phonon topology and real-space IFCs. The results demonstrate that variations in the strength and nonlocality of IFCs can induce phonon phase transitions in GaN and AlN through band reversal, leading to the emergence of new Weyl phonons at the boundaries and within the Brillouin zones. Among the observed Weyl points, some remain identical in both materials under simple IFC modeling, while others exhibit variability depending on the specific case. Compared to the strength of the IFCs, nonlocal interactions have a significantly larger impact on inducing topological phonon phase transitions, particularly in scenarios modeled by the IFC model and the SW potential. The greater number of the third nearest neighbor atoms in wurtzite AlN provides more room for variations in the topological phonon phase than in GaN, resulting in more substantial changes in AlN.

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Structural and emission improvement of cyan-emitting InGaN quantum wells by introducing a large substrate misorientation angle

Kafar

Sakaki

Ishii

et al. 2021

Opt. Mater. Express

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Within this work, we studied InGaN QWs with nominally 17% InN mole fraction grown within an 80 × 80 μm area with local misorientation angle change from 0.3° to 3.2°. We observed a significant improvement of the photoluminescence intensity for the area with misorientation above 1.5°, which we attribute to the quenching of nonradiative recombination processes. From the structural point of view, the increase of the misorientation angle above 1.5° is accompanied by the improvement of the morphology of the sample and quality of the quantum wells observed through atomic force microscopy and transmission electron microscopy. We show that the structural and emission qualities in high-InN- mole fraction layers can be improved just by increasing the misorientation angle of the substrate and that the improved qualities are preserved even for large misorientation angles.

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Optimized valence force field model for the lattice properties of non-ideal III-nitride wurtzite materials

Cited by 6 publications

References 23 publications

Electronic band structure pseudopotential calculation of InGaN/GaN quantum wells

Electronic band structure pseudopotential calculation of InGaN/GaN quantum wells

Nonlocality and strength of interatomic interactions inducing the topological phonon phase transition

Structural and emission improvement of cyan-emitting InGaN quantum wells by introducing a large substrate misorientation angle

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