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Pressure-driven structural evolution of amorphous InN
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DOI：10.1016/j.jnoncrysol.2024.123378.png)
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Abstract
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Through constant-pressure ab initio simulations, we have uncovered high-pressure phase transformations in amorphous indium nitride for the first time. Our results reveal a distinct two-step progression under compression. Initially, a polyamorphic transition occurs, where the low-density amorphous (LDA) phase transforms into a high-density amorphous (HDA) phase. This HDA structure remains stable in some pressure range and then crystallization initiates, leading to a rocksalt configuration. Upon decompression, the HDA phase reverts to an amorphous network with a slightly higher density and coordination number than the initial LDA state.
Keywords:
Amorphous
Indium nitride
Polyamorphism
Crystallization
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