3 years ago

First-principles study of the impact of the atomic configuration on the electronic properties of ${\mathrm{Al}}_{x}{\mathrm{Ga}}_{1−x}\mathrm{N}$ alloys

First-principles study of the impact of the atomic configuration on the electronic properties of ${\mathrm{Al}}_{x}{\mathrm{Ga}}_{1−x}\mathrm{N}$ alloys
Alexandros Kyrtsos, Masahiko Matsubara, Enrico Bellotti
We employ first-principles calculations in the formalism of standard and hybrid density functional theory to study the electronic and structural properties of wurtzite ${\text{Al}}_{x}{\text{Ga}}_{1−x}\text{N}$ alloys. We address the discrepancies observed in literature regarding essential electroni...

Publisher URL: http://link.aps.org/doi/10.1103/PhysRevB.99.035201

DOI: 10.1103/PhysRevB.99.035201

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