Electronic structure and shallow traps nature in silicon-enriched SiOxNy: ab initio simulation
Perevalov T.V.1, Islamov D.R.1,2, Volodin V.A.1,2
1Rzhanov Institute of Semiconductor Physics, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
2Novosibirsk State Technical University, Novosibirsk, Russia
Email: timson@isp.nsc.ru
Within the ab initio simulation, SiOxNy model structures in a wide range of compositions were created, whose short-range order corresponds to the random bonding model. SiOxNy energy diagrams were constructed: the dependence of the position of the valence band top and conduction band bottom on the composition of x and y relative to the vacuum level. The electronic structure of native defects in SiOxNy that are involved in charge transport was studied. It has been found that Si-Si bonds in SiOxNy can produce shallow traps with energies in the range of 10-100 meV. Keywords: electronic structure, dielectrics, defects, traps, oxygen vacancy, resistive memory, density functional theory.
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