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Synthesis and Calculations of Wurtzite Al1−xGdxN Heterostructural Alloys
[post]
2022
unpublished
Al1−xGdxN is one of a series of novel heterostructural alloys involving rare earth cations with potentially interesting properties for (opto)electronic, magnetic and neutron detector applications. Using alloy models in conjunction with density functional theory, we explored the full composition range for Al1−xGdxN and found that wurtzite is the ground state structure up to a critical composition of x = 0.82. The calculated temperature-composition phase diagram reveals a large miscibility gap
doi:10.26434/chemrxiv-2022-k32j0
fatcat:2o3ok2gcm5c7lbuntea5lauegy