Trap Generation Induced by Local Distortion in Amorphous Silicon Dioxide Film

Abstract
The generation mechanism, the stable atomic configuration, and the properties of intrinsic charge traps in amorphous silicon dioxide (a-SiO2) are investigated employing the ab initio molecular orbital method applied to a cluster model. It is found that an injected hole is trapped in a nonbonding 2p orbital of an oxygen atom even though there are initially no defects and impurities in a-SiO2. Thus, it acts as a trap for an electron. The local distortion in a-SiO2 structure, especially the stretching of a Si–O–Si, induces the hole trapping. It is also found that the effect of the local distortion on electron trapping is small.
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