Characterization of oxygen impurity in silicon nitride storage layer: A first‐principles investigation. Issue 6 (6th April 2014)

• Record Type: Journal Article
• Authors: Luo, Jing; Lu, Jinlong; Zhao, Hongpeng; Dai, Yuehua; Liu, Qi; Yang, Jin; Jiang, Xianwei; Xu, Huifang
• Is Part Of: Physica status solidi. Volume 251:Issue 6(2014:Jun.)
• Page Start: 1212
• Page End: 1218
• Publication Date: 2014-04-06
• Subjects: Solid state physics -- Periodicals; Solids -- Periodicals; Atomic structure -- Periodicals; 530.41
• DOI: 10.1002/pssb.201350058
• Languages: English
• ISSNs: 0370-1972

Abstract

<abstract abstract-type="main"> <title> <x xml:space="preserve">Abstract</x> </title> <sec id="pssb201350058-sec-0001" sec-type="section"> <p>In this paper, based on first‐principles calculations, we have carried out a comprehensive study of substitutional oxygen defects in hexagonal silicon nitride (β‐Si₃N₄). First of all, it is found that substitutional oxygens tend to form clusters at three different sites due to the intensive attractive interaction. By analyzing modified Bader charge and trap energy, we next discuss retention characteristic of the three clusters. The results manifest that all of the clusters are amphoteric defects with the ability to trap both electrons and holes. Moreover, every cluster is more powerful to trap holes, which indicates that oxygen clusters have a higher stability to hold holes than electrons. With regard to endurance characteristic, our studies reveal that the three clusters present differences after program/erase cycles, and then we explore the mechanism of endurance degeneration by nudged elastic band method (NEB). Taking full account of retention and endurance, we deem holes rather than electrons to be optimal to act as operational charge carriers for oxygen defects in Si₃N₄‐based charge trapping memories.</p> </sec> </abstract>