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Title: Microscopic origin of n-type behavior in Si-doped AlN
Authors: Fernández Hevia, Daniel
Stampfl, Catherine
Viñes, Francesc
Illas, Francesc
UNESCO Clasification: 3303 ingeniería y tecnología químicas
Keywords: Molecular-Beam Epitaxy
Gan, et al
Issue Date: 2013
Project: Efesot-Eficiencia Energética en Protección Contra Sobretensiones 
Cascada-Cambiador de Tomas en Carga Para Redes de Distribución Activa de Energía Eléctrica. 
Journal: Physical Review B - Condensed Matter and Materials Physics 
Abstract: In contrast to a long held belief, it has been shown that n-type AlN can be achieved through Si-doping. This is unexplainable from the current theoretical understanding, a situation that hinders further progress in AlN-based ultraviolet (UV) technologies. From first-principles calculations, we find that n-type behavior arises under N-rich growth conditions due to high Si solubility and to the formation of V Al-bound Si clusters. We show that metal-rich growth may lead to weak n-type behavior due to oxygen impurities binding and deactivating cation vacancies. We provide clues for designing production processes for n-type AlN as a base material for potential new UV sources.
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.88.085202
Source: Physical Review B [ISSN 1098-0121], v. 88 (8), 085202, (Agosto 2013)
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