T. V. Perevalov, D. R. Islamov, V. A. Volodin, “Electronic structure and shallow traps nature in silicon-enriched SiO$_x$N$_y$: ab initio simulation”, Fizika Tverdogo Tela, 2025, Volume 67, Issue 1,Pages 126

XVI Russian Conference on Semiconductor Physics, October 7-11, 2024, St. Petersburg
Dielectrics

Electronic structure and shallow traps nature in silicon-enriched SiO$_x$N$_y$: ab initio simulation

T. V. Perevalov^a, D. R. Islamov^ab, V. A. Volodin^ab

^a Rzhanov Institute of Semiconductor Physics, Siberian Branch of Russian Academy of Sciences, Novosibirsk
^b Novosibirsk State Technical University

Abstract: Within the ab initio simulation, SiO$_x$N$_y$ model structures in a wide range of compositions were created, whose short-range order corresponds to the random bonding model. SiO$_x$N$_y$ 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 SiO$_x$N$_y$ that are involved in charge transport was studied. It has been found that Si–Si bonds in SiO$_x$N$_y$ 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.

Received: 09.10.2024
Revised: 09.10.2024
Accepted: 11.10.2024

DOI: 10.61011/FTT.2025.01.59778.258